IngredientID 21885

Hyperin

C15H12O7

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Experiment: 1Herb: 12Ingredient: 1Reference: 11Target: 12Links: 36

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 21885
Core Entity Id: 27510
Source Entity Count: 1
Preferred Name: Hyperin
Name En
Pubchem Id: 10390317
Smiles Canonical: O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
Molecular Formula: C15H12O7
Molecular Weight: 304.2540
Inchikey: CIPXOJHYPOCFSV-RWGANMMZSA-N
Inchi: InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13,16-21H/t13-/m0/s1
Isomeric Smiles: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O
Cas Id: 482-36-0
Ob Score: 1.1657
Mol Logp: -0.2359
Num H Donors: 6
Num H Acceptors: 11
Num Rotatable Bonds: 1
Drug Likeness: 0.2240
Polar Surface Area: 195.5900
Molecular Volume: 323.4400
Alogp: -0.0740

Names

Preferred names, aliases, and source labels retained in the final schema.

Name

Hyperin _Qt

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Isoquercetin_Qt

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Isoquercetrin

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Isorhamnetin-3-Mono-Beta-D-Glucoside

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Quercetin Glucoside

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Quercetin,3-O-Glucoside

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Quercetin,3-O-Glucoside_Qt

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Quercetin-3-O-.Beta.-D-Glucopyranoside

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Quercetin-3-O-Galactopyranoside

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Quercetin-3-O-Galactoside

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Hyperin

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Hyperin

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Hyperin

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Hyperin _Qt

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Hyperin _qt

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Hyperin _qt

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Hyperoside

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Hyperoside

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Isohyperoside

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Isohyperoside

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Isohyperoside

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Isohyperoside

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Isohyperoside

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Isohyperoside Acetate

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Isohyperoside acetate

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Isohyperoside acetate

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Isohyperoside acetate

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Isoquercetin_Qt

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Isoquercetin_qt

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Isoquercetin_qt

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Isoquercetrin

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Isoquercetrin

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Isoquercetrin

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Isoquercetrin

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Isoquercitin

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Isoquercitin

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Isoquercitin

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Isoquercitrin

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Isoquercitrin

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Isoquercitrin

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Isorhamnetin-3-Mono-Beta-D-Glucoside

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Isorhamnetin-3-mono-beta-D-glucoside

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Isorhamnetin-3-mono-beta-D-glucoside

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Isorhamnetin-3-mono-beta-d-glucoside

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Isorhamnetin-3-mono-beta-d-glucoside

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Querce-tin-3-o-beta-d-galactopyranoside

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Quercertin,3-O-Beta-D-Glucopyranoside

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Quercertin,3-o-beta-d-glucopyranoside

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Quercertin,3-o-beta-d-glucopyranoside

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Quercetin 3-o-beta-d-glucopyranoside

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Quercetin 3-o-galactoside

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Quercetin 3-o-galactoside

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Quercetin Glucoside

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Quercetin glucoside

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Quercetin glucoside

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Quercetin,3-O-Glucoside_Qt

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Quercetin,3-o-glucoside

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Quercetin,3-o-glucoside

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Quercetin,3-o-glucoside_qt

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Quercetin,3-o-glucoside_qt

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Quercetin-3-L-Arabinon-7-D-Glucoside

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Quercetin-3-L-arabinon-7-D-glucoside

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Quercetin-3-L-arabinon-7-D-glucoside

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Quercetin-3-O-.Beta.-D-Glucopyranoside

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Quercetin-3-O-.beta.-D-glucopyranoside

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Quercetin-3-O-Galactopyranoside

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Quercetin-3-O-Galactoside

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Quercetin-3-O-Glucoside

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Quercetin-3-O-galactoside

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Quercetin-3-l-arabinon-7-d-glucoside

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Quercetin-3-l-arabinon-7-d-glucoside

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Quercetin-3-o-beta-d-galactopyranoside

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Quercetin-3-o-beta-d-glucopyranoside(

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Quercetin-3-o-galactopyranoside

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Quercetin-3-o-galactopyranoside

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

hyperin

Role

preferred

Source

TCMBank

Preferred

Yes

Name

hyperin _qt

Role

preferred

Source

TCMBank

Preferred

Yes

Name

hyperoside

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

isoquercetin_qt

Role

preferred

Source

TCMBank

Preferred

Yes

Name

isoquercetrin

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

isoquercitin

Role

preferred

Source

TCMBank

Preferred

Yes

Name

isoquercitrin

Role

preferred

Source

TCMBank

Preferred

Yes

Name

quercertin 3-O-beta-D-glucopyranoside

Role

preferred

Source

TCMBank

Preferred

Yes

Name

quercertin 3-O-beta-D-glucopyranoside

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

quercetin 3-O-galactoside

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

quercetin glucoside

Role

preferred

Source

TCMBank

Preferred

Yes

Name

quercetin glucoside

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

quercetin,3-o-glucoside_qt

Role

preferred

Source

TCMBank

Preferred

Yes

Name

quercetin-3-O-beta-D-glucopyranoside

Role

preferred

Source

TCMBank

Preferred

Yes

Name

quercetin-3-O-galactopyranoside

Role

preferred

Source

TCMBank

Preferred

Yes

Name

quercetin-3-O-β-glucoside

Role

preferred

Source

TCMBank

Preferred

Yes

Name

quercetin-3-o-galactopyranoside

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

地耳草; 柴胡

Role

TCM_name

Source

TCMBank

Preferred

Name

夏枯草

Role

TCM_name

Source

TCMBank

Preferred

Name

无毛山楂;展萼金丝桃;黄海棠;茵陈蒿;钩藤;云南山楂;地榆;淫羊藿;毛钩藤;老鹳草;鱼腥草;辽宁山楂;毛叶卫矛;山楂;湖北山楂;仙鹤草;金丝梅;款冬花;红筷子;照山白;近无柄金丝桃;蓼科;扬子小连翘;地耳草;集字木;蟋蟀;秤杆升麻;满山红;紫背鹿蹄草;鹿衔草;夏枯草;山里红;普通鹿蹄草;黄蜀葵花;察隅遍地金;贯叶连翘;挺茎遍地金;小野枇杷;龙芽草;野山楂;元宝草;朝鲜淫羊藿;川滇金丝桃;硫球蛇根草;猫眼草;遍地金; 三白草;甜山竹子;毛山楂;虎杖叶;罗布麻;荷叶;菟丝子;黑木金合欢;弯萼金丝桃;铃兰;甘肃山楂

Role

TCM_name

Source

TCMBank

Preferred

Name

桑枝; 青蒿

Role

TCM_name

Source

TCMBank

Preferred

Name

沙棘

Role

TCM_name

Source

TCMBank

Preferred

Name

沙菀子

Role

TCM_name

Source

TCMBank

Preferred

Name

满山红

Role

TCM_name

Source

TCMBank

Preferred

Name

美商陆

Role

TCM_name

Source

TCMBank

Preferred

Name

荷叶

Role

TCM_name

Source

TCMBank

Preferred

Name

葶苈子

Role

TCM_name

Source

TCMBank

Preferred

Name

蒲公英; 益母草

Role

TCM_name

Source

TCMBank

Preferred

Name

藤黄

Role

TCM_name

Source

TCMBank

Preferred

Name

贯叶连翘;湖北卫茅;小叶枇杷;照山白;黑木金合欢;黄海棠

Role

TCM_name

Source

TCMBank

Preferred

Name

金银花

Role

TCM_name

Source

TCMBank

Preferred

Name

鱼腥草

Role

TCM_name

Source

TCMBank

Preferred

Name

鹤草芽

Role

TCM_name

Source

TCMBank

Preferred

Name

Bupleurum chinense

Role

TCM_name2

Source

TCMBank

Preferred

Name

Descurainia sophia

Role

TCM_name2

Source

TCMBank

Preferred

Name

GUAN YE LIAN QIAO;MAO YE WEI MAO;XIAO YE PI PA;ZHAO SHAN BAI;HEI MU JIN HE HUAN;HUANG HAI TANG

Role

TCM_name2

Source

TCMBank

Preferred

Name

Lonicera japonica

Role

TCM_name2

Source

TCMBank

Preferred

Name

MAN SHAN HONG

Role

TCM_name2

Source

TCMBank

Preferred

Name

MEI SHANG LU

Role

TCM_name2

Source

TCMBank

Preferred

Name

TENG HUANG

Role

TCM_name2

Source

TCMBank

Preferred

Name

Taraxacum mongolicum

Role

TCM_name2

Source

TCMBank

Preferred

Name

WU MAO SHAN ZHA;ZHAN E JIN SI TAO;HUANG HAI TANG;YIN CHEN HAO;GOU TENG;YUN NAN SHAN ZHA;DI YU;YIN YANG HUO;MAO GOU TENG;LAO GUAN CAO;YU XING CAO;LIAO NING SHAN ZHA;MAO YE WEI MAO;Betula spp.;SHAN ZHA;HU BEI SHAN ZHA;XIAN HE CAO;JIN SI MEI;KUAN DONG HUA;HONG KUAI ZI;ZHAO SHAN BAI;JI WU BING JIN SI TAO;family Polygonaceae spp. (Polygonaceae);YANG ZI XIAO LIAN QIAO;DI ER CAO;JI ZI MU;XI SHU;CHENG GAN SHENG MA;MAN SHAN HONG;ZI BEI LU TI CAO;LU XIAN CAO;XIA KU CAO;SHAN LI HONG;PU TONG LU TI CAO;Occurs in many plants;HUANG SHU KUI HUA;CHA YU BIAN DI JIN;GUAN YE LIAN QIAO;TING JING BIAN DI JIN;XIAO YE PI PA;LONG YA CAO;YE SHAN ZHA;YUAN BAO CAO;CHAO XIAN YIN YANG HUO;CHUAN DIAN JIN SI TAO;LIU QIU SHE GEN CAO;MAO YAN CAO;BIAN DI JIN;SAN BAI CAO;TIAN SHAN ZHU ZI;MAO SHAN ZHA;HU ZHANG YE;LUO BU MA;HE YE;TU SI ZI;HEI MU JIN HE HUAN;WAN E JIN SI TAO;LING LAN;GAN SU SHAN ZHA

Role

TCM_name2

Source

TCMBank

Preferred

Name

Agrimonia pilosa

Role

TCM_name_en

Source

TCMBank

Preferred

Name

American Pokeweed

Role

TCM_name_en

Source

TCMBank

Preferred

Name

Common St. Johnswort;Sacred Spindle-tree ;Savoury Rhododendron ;Manchurian Rhododendron ;AustraIian Biackwood;Giant St. johnswort

Role

TCM_name_en

Source

TCMBank

Preferred

Name

Dahurian Rhododendron

Role

TCM_name_en

Source

TCMBank

Preferred

Name

Dandelion; YI MU CAO

Role

TCM_name_en

Source

TCMBank

Preferred

Name

Gamboge Tree Resin

Role

TCM_name_en

Source

TCMBank

Preferred

Name

Hairless Chinese Hawthorn;Lancaster’s St.John’swort;Giant St.John’swort;Capillary Wormwood;Sharpleaf Gambirplant;Yunnan Hawthorn;Garden Burnet;Shorthorned Epimedium;Hirsute Gambirplant*;Wilford Cranesbill;Heartleaf Houttuynia;Redhaw Hawthorn;Sacred Spindle-tree;Chinese Hawthorn;Hupeh Hawthorn;Japanese Argimonia;Spreading St.John’swort;Common Coltsfoot;Willowherb (Firewood);Manchurian Rhododendron;Subsessile St.John’swort;;Faber’s St.John’swort;Japanese St.John’swort;Racemose Adina;Common Camptotheac;Lindley Eupatorium;Dahurian Rhododendron;Purpleback Pyrola;Chinese Pyrola;Common Selfheal;Red Fruit;Common Pyrola;Setose Abelmoschus;Chayu St.John’swort;Common St.John’swort;Elodia St.John’swort;Savoury Rhododendron;Hairyvein Agrimonia;Nippon Hawthorn;Sampson St.John’swort;Korean Epimedium;Forrest’s St.John’swort;Liukiu Ophiorrhiza*;Crescent-shaped Euphorbia;Wight’s St.John’swort;Chinese Lizardtail;Dulcin Garcinia*;Maximowicz Hawthorn;Japanese Fleeceflower Leaf;Dogbane;Hindu Lotus Leaf;Chinese Dodder Seed;Australian Blackwood;Curvedsepal St.John’swort;Lily of Valley;Kansu Hawthorn

Role

TCM_name_en

Source

TCMBank

Preferred

Name

Houttuynia cordata

Role

TCM_name_en

Source

TCMBank

Preferred

Name

Lonicera confuse

Role

TCM_name_en

Source

TCMBank

Preferred

Name

Morus alba; Artemisia annua

Role

TCM_name_en

Source

TCMBank

Preferred

Name

Nelumbo nucifera

Role

TCM_name_en

Source

TCMBank

Preferred

Name

Prunella vulgaris

Role

TCM_name_en

Source

TCMBank

Preferred

Name

SHA WAN ZI

Role

TCM_name_en

Source

TCMBank

Preferred

Name

TING LI ZI

Role

TCM_name_en

Source

TCMBank

Preferred

Name

hypericum japonicum; Radix Bupleuri

Role

TCM_name_en

Source

TCMBank

Preferred

Name

sea-buckthorn

Role

TCM_name_en

Source

TCMBank

Preferred

Name

(4S)-2,3-dehydro-leucocyanidin

Role

alias

Source

itcmdb_public

Preferred

Name

(4S)-2,3-dehydroleucocyanidin

Role

alias

Source

HERB_v2

Preferred

Name

(4S)-2-(3,4-dihydroxyphenyl)-4H-1-benzopyran-3,4,5,7-tetrol

Role

alias

Source

itcmdb_public

Preferred

Name

(4S)-2-(3,4-dihydroxyphenyl)-4H-1-benzopyran-3,4,5,7-tetrol

Role

alias

Source

HERB_v2

Preferred

Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexoxy]-4-chromenone

Role

alias

Source

TCMBank

Preferred

Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexoxy]chromen-4-one

Role

alias

Source

itcmdb_public

Preferred

Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexoxy]chromen-4-one

Role

alias

Source

HERB_v2

Preferred

Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexoxy]chromen-4-one

Role

alias

Source

TCMBank

Preferred

Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one

Role

alias

Source

TCMBank

Preferred

Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-methylol-cyclohexoxy]chromone

Role

alias

Source

TCMBank

Preferred

Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Role

alias

Source

HERB_v2

Preferred

Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Role

alias

Source

TCMBank

Preferred

Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Role

alias

Source

itcmdb_public

Preferred

Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one

Role

alias

Source

TCMBank

Preferred

Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone

Role

alias

Source

TCMBank

Preferred

Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone

Role

alias

Source

TCMBank

Preferred

Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(3S,4R,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]chromen-4-one

Role

alias

Source

TCMBank

Preferred

Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(3S,4R,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]chromen-4-one

Role

alias

Source

SymMap_v2

Preferred

Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(3S,4R,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]chromen-4-one

Role

alias

Source

HERB_v2

Preferred

Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(3S,4R,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]chromen-4-one

Role

alias

Source

itcmdb_public

Preferred

Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(3S,4R,5S)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methoxy]chromen-4-one

Role

alias

Source

SymMap_v2

Preferred

Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(3S,4R,5S)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methoxy]chromen-4-one

Role

alias

Source

TCMBank

Preferred

Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(3S,4R,5S)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methoxy]chromen-4-one

Role

alias

Source

itcmdb_public

Preferred

Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(3S,4R,5S)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methoxy]chromen-4-one

Role

alias

Source

HERB_v2

Preferred

Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl .beta.-D-glucopyranoside

Role

alias

Source

itcmdb_public

Preferred

Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl .beta.-D-glucopyranoside

Role

alias

Source

HERB_v2

Preferred

Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl D-galactopyranoside

Role

alias

Source

itcmdb_public

Preferred

Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl D-galactopyranoside

Role

alias

Source

HERB_v2

Preferred

Name

3,3',4',5,7-Pentahydroxyflavone 3-.beta.-glucoside

Role

alias

Source

itcmdb_public

Preferred

Name

3,3',4',5,7-Pentahydroxyflavone 3-.beta.-glucoside

Role

alias

Source

HERB_v2

Preferred

Name

3-Glucosylquercetin

Role

alias

Source

itcmdb_public

Preferred

Name

3-Glucosylquercetin

Role

alias

Source

HERB_v2

Preferred

Name

3-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one

Role

alias

Source

TCMBank

Preferred

Name

3-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one

Role

alias

Source

TCMBank

Preferred

Name

3-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromone

Role

alias

Source

TCMBank

Preferred

Name

3-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

Role

alias

Source

HERB_v2

Preferred

Name

3-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

Role

alias

Source

itcmdb_public

Preferred

Name

3-[[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2-tetrahydrofuranyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-chromenone

Role

alias

Source

TCMBank

Preferred

Name

35589-21-0

Role

alias

Source

HERB_v2

Preferred

Name

35589-21-0

Role

alias

Source

itcmdb_public

Preferred

Name

35589-21-0

Role

alias

Source

TCMBank

Preferred

Name

482-35-9

Role

alias

Source

HERB_v2

Preferred

Name

482-35-9

Role

alias

Source

itcmdb_public

Preferred

Name

482-36-0

Role

alias

Source

HERB_v2

Preferred

Name

482-36-0

Role

alias

Source

itcmdb_public

Preferred

Name

4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(beta-D-galactofuranosyloxy)-5,7-dihydroxy-

Role

alias

Source

HERB_v2

Preferred

Name

4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(beta-D-galactofuranosyloxy)-5,7-dihydroxy-

Role

alias

Source

itcmdb_public

Preferred

Name

4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(beta-D-galactofuranosyloxy)-5,7-dihydroxy-

Role

alias

Source

TCMBank

Preferred

Name

AC1NUJBL

Role

alias

Source

TCMBank

Preferred

Name

AC1NUJBL

Role

alias

Source

SymMap_v2

Preferred

Name

AIDS398414

Role

alias

Source

TCMBank

Preferred

Name

BDBM84979

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:139471

Role

alias

Source

itcmdb_public

Preferred

Name

CHEBI:139471

Role

alias

Source

HERB_v2

Preferred

Name

CHEBI:191415

Role

alias

Source

itcmdb_public

Preferred

Name

CHEBI:191415

Role

alias

Source

HERB_v2

Preferred

Name

CHEMBL2337335

Role

alias

Source

HERB_v2

Preferred

Name

CHEMBL2337335

Role

alias

Source

itcmdb_public

Preferred

Name

DTXCID00111544

Role

alias

Source

itcmdb_public

Preferred

Name

DTXCID00111544

Role

alias

Source

HERB_v2

Preferred

Name

DTXSID70189053

Role

alias

Source

itcmdb_public

Preferred

Name

DTXSID70189053

Role

alias

Source

HERB_v2

Preferred

Name

FT-0627504

Role

alias

Source

TCMBank

Preferred

Name

Hirsutrin

Role

alias

Source

HERB_v2

Preferred

Name

Hirsutrin

Role

alias

Source

itcmdb_public

Preferred

Name

Hyperin

Role

alias

Source

HERB_v2

Preferred

Name

Hyperin

Role

alias

Source

itcmdb_public

Preferred

Name

Hyperosid

Role

alias

Source

HERB_v2

Preferred

Name

Hyperosid

Role

alias

Source

itcmdb_public

Preferred

Name

Hyperoside

Role

alias

Source

HERB_v2

Preferred

Name

Hyperoside

Role

alias

Source

itcmdb_public

Preferred

Name

Hyperozide

Role

alias

Source

HERB_v2

Preferred

Name

Hyperozide

Role

alias

Source

itcmdb_public

Preferred

Name

ISOQUERCITRIN

Role

alias

Source

TCMBank

Preferred

Name

Isohyperoside

Role

alias

Source

HERB_v2

Preferred

Name

Isohyperoside

Role

alias

Source

itcmdb_public

Preferred

Name

Isohyperoside acetate

Role

alias

Source

HERB_v2

Preferred

Name

Isohyperoside acetate

Role

alias

Source

itcmdb_public

Preferred

Name

Isohyperoside acetate

Role

alias

Source

TCMBank

Preferred

Name

Isoquercetin

Role

alias

Source

itcmdb_public

Preferred

Name

Isoquercetin

Role

alias

Source

HERB_v2

Preferred

Name

Isoquercitrin

Role

alias

Source

HERB_v2

Preferred

Name

Isoquercitrin

Role

alias

Source

itcmdb_public

Preferred

Name

OVSQVDMCBVZWGM-HBDJNLTOSA-N

Role

alias

Source

HERB_v2

Preferred

Name

OVSQVDMCBVZWGM-HBDJNLTOSA-N

Role

alias

Source

itcmdb_public

Preferred

Name

OVSQVDMCBVZWGM-LQSBFMDOSA-N

Role

alias

Source

itcmdb_public

Preferred

Name

OVSQVDMCBVZWGM-LQSBFMDOSA-N

Role

alias

Source

HERB_v2

Preferred

Name

Quercetin 3-.beta.-D-glucoside

Role

alias

Source

HERB_v2

Preferred

Name

Quercetin 3-.beta.-D-glucoside

Role

alias

Source

itcmdb_public

Preferred

Name

Quercetin 3-D-galactoside

Role

alias

Source

HERB_v2

Preferred

Name

Quercetin 3-D-galactoside

Role

alias

Source

itcmdb_public

Preferred

Name

Quercetin 3-D-glucoside

Role

alias

Source

HERB_v2

Preferred

Name

Quercetin 3-D-glucoside

Role

alias

Source

itcmdb_public

Preferred

Name

Quercetin 3-O-glucoside

Role

alias

Source

HERB_v2

Preferred

Name

Quercetin 3-O-glucoside

Role

alias

Source

itcmdb_public

Preferred

Name

Quercetin 3-galactoside

Role

alias

Source

HERB_v2

Preferred

Name

Quercetin 3-galactoside

Role

alias

Source

itcmdb_public

Preferred

Name

Quercetin 3-glucoside

Role

alias

Source

HERB_v2

Preferred

Name

Quercetin 3-glucoside

Role

alias

Source

itcmdb_public

Preferred

Name

Quercetin 3-o-glucopyranoside

Role

alias

Source

itcmdb_public

Preferred

Name

Quercetin 3-o-glucopyranoside

Role

alias

Source

HERB_v2

Preferred

Name

Quercetin-3-L-arabinon-7-D-glucoside

Role

alias

Source

TCMBank

Preferred

Name

Quercetin-3-O-.beta.-D-glucopyranoside

Role

alias

Source

itcmdb_public

Preferred

Name

Quercetin-3-O-.beta.-D-glucopyranoside

Role

alias

Source

HERB_v2

Preferred

Name

Quercetin-3-O-Galactoside

Role

alias

Source

TCMBank

Preferred

Name

Quercetin-3-O-galactoside

Role

alias

Source

itcmdb_public

Preferred

Name

Quercetin-3-O-galactoside

Role

alias

Source

HERB_v2

Preferred

Name

Quercetin-3-O-malonyl-beta-D-glucoside

Role

alias

Source

itcmdb_public

Preferred

Name

Quercetin-3-O-malonyl-beta-D-glucoside

Role

alias

Source

TCMBank

Preferred

Name

Quercetin-3-O-malonyl-beta-D-glucoside

Role

alias

Source

HERB_v2

Preferred

Name

Quercetin-3-Ogalactopyranoside

Role

alias

Source

itcmdb_public

Preferred

Name

Quercetin-3-Ogalactopyranoside

Role

alias

Source

HERB_v2

Preferred

Name

Quercetol 3-monoglucoside

Role

alias

Source

itcmdb_public

Preferred

Name

Quercetol 3-monoglucoside

Role

alias

Source

HERB_v2

Preferred

Name

SCHEMBL13096300

Role

alias

Source

itcmdb_public

Preferred

Name

SCHEMBL13096300

Role

alias

Source

HERB_v2

Preferred

Name

SCHEMBL19249075

Role

alias

Source

itcmdb_public

Preferred

Name

SCHEMBL19249075

Role

alias

Source

HERB_v2

Preferred

Name

SCHEMBL23249

Role

alias

Source

itcmdb_public

Preferred

Name

SCHEMBL23249

Role

alias

Source

HERB_v2

Preferred

Name

isohyperoside

Role

alias

Source

TCMBank

Preferred

Name

quercertin,3-o-beta-d-glucopyranoside_qt

Role

alias

Source

TCMBank

Preferred

Name

quercertin,3-o-beta-d-glucopyranoside_qt

Role

alias

Source

itcmdb_public

Preferred

Name

quercertin,3-o-beta-d-glucopyranoside_qt

Role

alias

Source

HERB_v2

Preferred

Name

quercetin 3-O-β-D-galactopyranoside

Role

alias

Source

HERB_v2

Preferred

Name

quercetin 3-O-β-D-galactopyranoside

Role

alias

Source

itcmdb_public

Preferred

Name

quercetin galactoside

Role

alias

Source

HERB_v2

Preferred

Name

quercetin galactoside

Role

alias

Source

itcmdb_public

Preferred

Name

quercetin,3-o-b-d-glucuronide_qt

Role

alias

Source

HERB_v2

Preferred

Name

quercetin,3-o-b-d-glucuronide_qt

Role

alias

Source

TCMBank

Preferred

Name

quercetin,3-o-b-d-glucuronide_qt

Role

alias

Source

itcmdb_public

Preferred

Name

quercetin,3-o-glucoside_qt

Role

alias

Source

HERB_v2

Preferred

Name

quercetin,3-o-glucoside_qt

Role

alias

Source

TCMBank

Preferred

Name

quercetin,3-o-glucoside_qt

Role

alias

Source

itcmdb_public

Preferred

Name

quercetin-3-O-beta-galactoside

Role

alias

Source

TCMBank

Preferred

Name

quercetin-3-O-galactopyranoside

Role

alias

Source

TCMBank

Preferred

Name

quercetin-3-o-galactopyranoside_qt

Role

alias

Source

itcmdb_public

Preferred

Name

quercetin-3-o-galactopyranoside_qt

Role

alias

Source

HERB_v2

Preferred

Name

quercetin-3-o-galactopyranoside_qt

Role

alias

Source

TCMBank

Preferred

Name

quercetin-glu

Role

alias

Source

TCMBank

Preferred

Name

13.补虚药(60-62)

Role

level1_name

Source

TCMBank

Preferred

Name

16.化湿药(9-9)

Role

level1_name

Source

TCMBank

Preferred

Name

18.驱虫药(9-9)

Role

level1_name

Source

TCMBank

Preferred

Name

2.清热药(64-64)

Role

level1_name

Source

TCMBank

Preferred

Name

4.利水渗湿药(27-27); 1.解表药(28-28)

Role

level1_name

Source

TCMBank

Preferred

Name

9.化痰止咳平喘药(34-34)

Role

level1_name

Source

TCMBank

Preferred

Name

cough-suppressing and panting-calming medicinal

Role

level1_name_en

Source

TCMBank

Preferred

Name

dampness-resolving medicinal

Role

level1_name_en

Source

TCMBank

Preferred

Name

dampness-resolving medicinal; exterior-releasing medicinal

Role

level1_name_en

Source

TCMBank

Preferred

Name

heat-clearing medicinal

Role

level1_name_en

Source

TCMBank

Preferred

Name

tonifying and replenishing medicinal

Role

level1_name_en

Source

TCMBank

Preferred

Name

worm-expelling medicinal

Role

level1_name_en

Source

TCMBank

Preferred

Name

1.清热泻火药(13-13)

Role

level2_name

Source

TCMBank

Preferred

Name

1.温化寒痰药(8-8)

Role

level2_name

Source

TCMBank

Preferred

Name

2.祛风湿清热药(5-8); 5.清虚热药(5-5)

Role

level2_name

Source

TCMBank

Preferred

Name

2.补阳药(22-23)

Role

level2_name

Source

TCMBank

Preferred

Name

3.利水退黄药(5-5); 2.发散风热药(12-12)

Role

level2_name

Source

TCMBank

Preferred

Name

3.止咳平喘药(11-11)

Role

level2_name

Source

TCMBank

Preferred

Name

3.清热解毒药(30-30)

Role

level2_name

Source

TCMBank

Preferred

Name

cold-phlegm resolving and warming medicinal

Role

level2_name_en

Source

TCMBank

Preferred

Name

cough-suppressing and panting-calming medicinal

Role

level2_name_en

Source

TCMBank

Preferred

Name

heat-clearing and detoxicating medicinal

Role

level2_name_en

Source

TCMBank

Preferred

Name

heat-clearing and fire-purging medicinal

Role

level2_name_en

Source

TCMBank

Preferred

Name

water-draining and anti-icteric medicinal; wind-heat dispersing

Role

level2_name_en

Source

TCMBank

Preferred

Name

wind-dampness dispelling and heat clearing medicinal; deficiency heatclearing medicinal

Role

level2_name_en

Source

TCMBank

Preferred

Name

yang-tonifying medicinal

Role

level2_name_en

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

Hyperin _QtIsoquercetin_QtIsoquercetrinIsorhamnetin-3-Mono-Beta-D-GlucosideQuercetin GlucosideQuercetin,3-O-GlucosideQuercetin,3-O-Glucoside_QtQuercetin-3-O-.Beta.-D-GlucopyranosideQuercetin-3-O-GalactopyranosideQuercetin-3-O-GalactosideHyperosideIsohyperosideIsohyperoside AcetateIsoquercitinIsoquercitrinQuerce-tin-3-o-beta-d-galactopyranosideQuercertin,3-O-Beta-D-GlucopyranosideQuercetin 3-o-beta-d-glucopyranosideQuercetin 3-o-galactosideQuercetin-3-L-Arabinon-7-D-GlucosideQuercetin-3-O-GlucosideQuercetin-3-o-beta-d-galactopyranosideQuercetin-3-o-beta-d-glucopyranoside(quercertin 3-O-beta-D-glucopyranosidequercetin-3-O-beta-D-glucopyranosidequercetin-3-O-β-glucoside地耳草; 柴胡夏枯草无毛山楂;展萼金丝桃;黄海棠;茵陈蒿;钩藤;云南山楂;地榆;淫羊藿;毛钩藤;老鹳草;鱼腥草;辽宁山楂;毛叶卫矛;山楂;湖北山楂;仙鹤草;金丝梅;款冬花;红筷子;照山白;近无柄金丝桃;蓼科;扬子小连翘;地耳草;集字木;蟋蟀;秤杆升麻;满山红;紫背鹿蹄草;鹿衔草;夏枯草;山里红;普通鹿蹄草;黄蜀葵花;察隅遍地金;贯叶连翘;挺茎遍地金;小野枇杷;龙芽草;野山楂;元宝草;朝鲜淫羊藿;川滇金丝桃;硫球蛇根草;猫眼草;遍地金; 三白草;甜山竹子;毛山楂;虎杖叶;罗布麻;荷叶;菟丝子;黑木金合欢;弯萼金丝桃;铃兰;甘肃山楂桑枝; 青蒿沙棘沙菀子满山红美商陆荷叶葶苈子蒲公英; 益母草藤黄贯叶连翘;湖北卫茅;小叶枇杷;照山白;黑木金合欢;黄海棠金银花鱼腥草鹤草芽Bupleurum chinenseDescurainia sophiaGUAN YE LIAN QIAO;MAO YE WEI MAO;XIAO YE PI PA;ZHAO SHAN BAI;HEI MU JIN HE HUAN;HUANG HAI TANGLonicera japonicaMAN SHAN HONGMEI SHANG LUTENG HUANGTaraxacum mongolicumWU MAO SHAN ZHA;ZHAN E JIN SI TAO;HUANG HAI TANG;YIN CHEN HAO;GOU TENG;YUN NAN SHAN ZHA;DI YU;YIN YANG HUO;MAO GOU TENG;LAO GUAN CAO;YU XING CAO;LIAO NING SHAN ZHA;MAO YE WEI MAO;Betula spp.;SHAN ZHA;HU BEI SHAN ZHA;XIAN HE CAO;JIN SI MEI;KUAN DONG HUA;HONG KUAI ZI;ZHAO SHAN BAI;JI WU BING JIN SI TAO;family Polygonaceae spp. (Polygonaceae);YANG ZI XIAO LIAN QIAO;DI ER CAO;JI ZI MU;XI SHU;CHENG GAN SHENG MA;MAN SHAN HONG;ZI BEI LU TI CAO;LU XIAN CAO;XIA KU CAO;SHAN LI HONG;PU TONG LU TI CAO;Occurs in many plants;HUANG SHU KUI HUA;CHA YU BIAN DI JIN;GUAN YE LIAN QIAO;TING JING BIAN DI JIN;XIAO YE PI PA;LONG YA CAO;YE SHAN ZHA;YUAN BAO CAO;CHAO XIAN YIN YANG HUO;CHUAN DIAN JIN SI TAO;LIU QIU SHE GEN CAO;MAO YAN CAO;BIAN DI JIN;SAN BAI CAO;TIAN SHAN ZHU ZI;MAO SHAN ZHA;HU ZHANG YE;LUO BU MA;HE YE;TU SI ZI;HEI MU JIN HE HUAN;WAN E JIN SI TAO;LING LAN;GAN SU SHAN ZHAAgrimonia pilosaAmerican PokeweedCommon St. Johnswort;Sacred Spindle-tree ;Savoury Rhododendron ;Manchurian Rhododendron ;AustraIian Biackwood;Giant St. johnswortDahurian RhododendronDandelion; YI MU CAOGamboge Tree ResinHairless Chinese Hawthorn;Lancaster’s St.John’swort;Giant St.John’swort;Capillary Wormwood;Sharpleaf Gambirplant;Yunnan Hawthorn;Garden Burnet;Shorthorned Epimedium;Hirsute Gambirplant*;Wilford Cranesbill;Heartleaf Houttuynia;Redhaw Hawthorn;Sacred Spindle-tree;Chinese Hawthorn;Hupeh Hawthorn;Japanese Argimonia;Spreading St.John’swort;Common Coltsfoot;Willowherb (Firewood);Manchurian Rhododendron;Subsessile St.John’swort;;Faber’s St.John’swort;Japanese St.John’swort;Racemose Adina;Common Camptotheac;Lindley Eupatorium;Dahurian Rhododendron;Purpleback Pyrola;Chinese Pyrola;Common Selfheal;Red Fruit;Common Pyrola;Setose Abelmoschus;Chayu St.John’swort;Common St.John’swort;Elodia St.John’swort;Savoury Rhododendron;Hairyvein Agrimonia;Nippon Hawthorn;Sampson St.John’swort;Korean Epimedium;Forrest’s St.John’swort;Liukiu Ophiorrhiza*;Crescent-shaped Euphorbia;Wight’s St.John’swort;Chinese Lizardtail;Dulcin Garcinia*;Maximowicz Hawthorn;Japanese Fleeceflower Leaf;Dogbane;Hindu Lotus Leaf;Chinese Dodder Seed;Australian Blackwood;Curvedsepal St.John’swort;Lily of Valley;Kansu HawthornHouttuynia cordataLonicera confuseMorus alba; Artemisia annuaNelumbo nuciferaPrunella vulgarisSHA WAN ZITING LI ZIhypericum japonicum; Radix Bupleurisea-buckthorn(4S)-2,3-dehydro-leucocyanidin(4S)-2,3-dehydroleucocyanidin(4S)-2-(3,4-dihydroxyphenyl)-4H-1-benzopyran-3,4,5,7-tetrol2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexoxy]-4-chromenone2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexoxy]chromen-4-one2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-methylol-cyclohexoxy]chromone2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(3S,4R,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]chromen-4-one2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(3S,4R,5S)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methoxy]chromen-4-one2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl .beta.-D-glucopyranoside2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl D-galactopyranoside3,3',4',5,7-Pentahydroxyflavone 3-.beta.-glucoside3-Glucosylquercetin3-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one3-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one3-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromone3-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one3-[[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2-tetrahydrofuranyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-chromenone35589-21-0482-35-9482-36-04H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(beta-D-galactofuranosyloxy)-5,7-dihydroxy-AC1NUJBLAIDS398414BDBM84979CHEBI:139471CHEBI:191415CHEMBL2337335DTXCID00111544DTXSID70189053FT-0627504HirsutrinHyperosidHyperozideIsoquercetinOVSQVDMCBVZWGM-HBDJNLTOSA-NOVSQVDMCBVZWGM-LQSBFMDOSA-NQuercetin 3-.beta.-D-glucosideQuercetin 3-D-galactosideQuercetin 3-D-glucosideQuercetin 3-O-glucosideQuercetin 3-galactosideQuercetin 3-glucosideQuercetin 3-o-glucopyranosideQuercetin-3-O-malonyl-beta-D-glucosideQuercetin-3-OgalactopyranosideQuercetol 3-monoglucosideSCHEMBL13096300SCHEMBL19249075SCHEMBL23249quercertin,3-o-beta-d-glucopyranoside_qtquercetin 3-O-β-D-galactopyranosidequercetin galactosidequercetin,3-o-b-d-glucuronide_qtquercetin-3-O-beta-galactosidequercetin-3-o-galactopyranoside_qtquercetin-glu13.补虚药(60-62)16.化湿药(9-9)18.驱虫药(9-9)2.清热药(64-64)4.利水渗湿药(27-27); 1.解表药(28-28)9.化痰止咳平喘药(34-34)cough-suppressing and panting-calming medicinaldampness-resolving medicinaldampness-resolving medicinal; exterior-releasing medicinalheat-clearing medicinaltonifying and replenishing medicinalworm-expelling medicinal1.清热泻火药(13-13)1.温化寒痰药(8-8)2.祛风湿清热药(5-8); 5.清虚热药(5-5)2.补阳药(22-23)3.利水退黄药(5-5); 2.发散风热药(12-12)3.止咳平喘药(11-11)3.清热解毒药(30-30)cold-phlegm resolving and warming medicinalheat-clearing and detoxicating medicinalheat-clearing and fire-purging medicinalwater-draining and anti-icteric medicinal; wind-heat dispersingwind-dampness dispelling and heat clearing medicinal; deficiency heatclearing medicinalyang-tonifying medicinal

Cross References

Trusted external identifiers retained for this final record.

Cas

21637-25-235589-21-0482-35-9482-36-0

Hit

C0133C0156

Herb

HBIN029831HBIN029836HBIN029837HBIN030816HBIN030817HBIN031099HBIN031100HBIN031101HBIN031102HBIN031129HBIN041482HBIN041533HBIN041617HBIN041618HBIN041619HBIN041631HBIN041633HBIN041645HBIN041646HBIN041647HBIN041648HBIN041650HBIN041651HBIN041679HBIN041712

Npass

NPC179950NPC280790NPC281128NPC281131NPC289584NPC290437NPC41464NPC491374NPC7596NPC88789

Tcmid

1088611458116391834123275250153137431878337073383135471359433618136302378493795141227

Tcmsp

MOL000100MOL000107MOL000109MOL000110MOL000112MOL000558MOL002051MOL004105MOL004368MOL006094MOL006769MOL007260MOL007953MOL009282MOL012440MOL012782

Sym Map

SMIT00250SMIT01450SMIT01465SMIT01694SMIT02771SMIT02777SMIT02779SMIT02780SMIT02782SMIT03124SMIT04364SMIT06297SMIT07769SMIT08729SMIT09294SMIT10438SMIT13192SMIT13513SMIT16036SMIT19455SMIT26399SMIT26400

Tcm Id

10662107181075410755131221380715268160231676720177201782017920180229652296622967230212302233573358361936239860986198669867

Pub Chem

103903171081396911751616123043211230432312696112715959354442590914593392951402807528080452816435378597548050557426885748375

Tcmbank

TCMBANKIN000793TCMBANKIN001311TCMBANKIN003283TCMBANKIN005064TCMBANKIN005901TCMBANKIN010126TCMBANKIN015798TCMBANKIN020386TCMBANKIN022963TCMBANKIN028802TCMBANKIN036845TCMBANKIN038534TCMBANKIN038926TCMBANKIN041213TCMBANKIN044072TCMBANKIN044141TCMBANKIN044942TCMBANKIN052588TCMBANKIN053187TCMBANKIN054258TCMBANKIN054873TCMBANKIN054876TCMBANKIN055278TCMBANKIN056169TCMBANKIN057344TCMBANKIN057694TCMBANKIN057813TCMBANKIN057850TCMBANKIN058131TCMBANKIN058134TCMBANKIN058469

Etcm Ingredient

IsohyperosideIsohyperoside acetateIsoquercitinIsorhamnetin-3-mono-beta-D-glucosideQuercetin-3-L-arabinon-7-D-glucosideQuercetin-3-O-.beta.-D-glucopyranosidehyperosideisoquercetrinquercertin 3-O-beta-D-glucopyranosidequercetin 3-O-galactosidequercetin glucosidequercetin-3-o-galactopyranoside

Itcmdb Generated

ITX-INGREDIENT-025DB3398E7BITX-INGREDIENT-036831432DB4ITX-INGREDIENT-0828F0A549ADITX-INGREDIENT-0D9F085237C9ITX-INGREDIENT-10E0504C785CITX-INGREDIENT-14D535CD40FAITX-INGREDIENT-181EACD31EC8ITX-INGREDIENT-1D6CDF479AC1ITX-INGREDIENT-21FF52457661ITX-INGREDIENT-2BF7D92D52E7ITX-INGREDIENT-2E99FC24BA04ITX-INGREDIENT-3873811995C2ITX-INGREDIENT-59C8B32EF8FDITX-INGREDIENT-5F9696E48CC0ITX-INGREDIENT-660BD3154CE9ITX-INGREDIENT-753AD87F0C18ITX-INGREDIENT-77DA0CCE145EITX-INGREDIENT-7DA2FB66DF3CITX-INGREDIENT-87D75E89B974ITX-INGREDIENT-8C6ACE2B78D9ITX-INGREDIENT-8F7D9E1B5BC7ITX-INGREDIENT-9F0F3997B5E2ITX-INGREDIENT-B160CF5DE4B8ITX-INGREDIENT-BF004D4CE942ITX-INGREDIENT-C249B702CB28ITX-INGREDIENT-C45670BDCAAEITX-INGREDIENT-D951863B2939ITX-INGREDIENT-E149D374007CITX-INGREDIENT-E9B6171F6BB3ITX-INGREDIENT-EBD11338AFA3ITX-INGREDIENT-EDF6CEFBDBCFITX-INGREDIENT-EE6C08E564CAITX-INGREDIENT-F3BC8C3CB16E

Attributes

Merged source attributes and domain-specific metadata.

3.929224.04384.17512

1.726721.730791.73403

1.845941.852991.85718

Bic

0.724110.74070.76023

Cic

0.912331.000591.07077

Phi

5.931786.41336.90924

Sic

0.785840.801640.82066

Log D

-0.76-0.802-0.931-1.131-1.488

Sc 0

323334

Sc 1

353637

Sc 2

535455

Type

Blood ingredients,Other ingredientsMetabolic ingredientsOther ingredients

Alog P

-0.074-0.129-0.30

Chi 0

23.317124.024224.7313

Chi 1

15.078315.616316.1543

Chi 2

14.627614.818715.0097

In Ch I

InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13,16-21H/t13-/m0/s1InChI=1S/C21H20O12/c22-6-12(27)19-16(29)17(30)21(32-19)33-20-15(28)14-11(26)4-8(23)5-13(14)31-18(20)7-1-2-9(24)10(25)3-7/h1-5,12,16-17,19,21-27,29-30H,6H2/t12-,16-,17-,19+,21+/m1/s1InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21?/m1/s1InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m0/s1InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1InChI=1S/C21H20O12/c22-8-4-11(25)14-12(5-8)32-19(7-1-2-9(23)10(24)3-7)20(16(14)27)31-6-13-15(26)17(28)18(29)21(30)33-13/h1-5,13,15,17-18,21-26,28-30H,6H2/t13?,15-,17-,18+,21?/m1/s1InChI=1S/C22H22O11/c23-7-9-4-15(18(29)20(31)17(9)28)33-22-19(30)16-13(27)5-10(24)6-14(16)32-21(22)8-1-2-11(25)12(26)3-8/h1-3,5-6,9,15,17-18,20,23-29,31H,4,7H2/t9-,15-,17-,18+,20+/m1/s1InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22?/m0/s1

Mol Wt

304.254462.4070000000001464.3790000000001478.4060000000001

Pmi X

622.248635.968645.77658.029658.049658.139658.145658.231658.237658.246660.491662.885664.77665.278665.501665.899674.518676.436692.473692.474722.987

Cas Id

482-36-0

Energy

38.8238.9239.340.1641.6241.7341.841.8241.8441.8641.959.960.1360.560.6960.8560.8661.53

Sc 3 C

Sc 3 P

737577

Smiles

C1(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])=C(c3c([H])c([H])c(O[H])c(O[H])c3[H])Oc(c([H])c(O[H])c([H])c4O[H])c4C1=OC1(c2c([H])c(O[H])c(O[H])c([H])c2[H])=C(O[C@@]3([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C(c4c(O1)c([H])c(O[H])c([H])c4O[H])=OC1(c2c([H])c([H])c(O[H])c(O[H])c2[H])=C(O[C@@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C(c4c(O1)c([H])c(O[H])c([H])c4O[H])=OC1(c2c([H])c([H])c(O[H])c(O[H])c2[H])=C(O[C@@]3([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C(c4c(O1)c([H])c(O[H])c([H])c4O[H])=OC1(c2c([H])c([H])c(O[H])c(O[H])c2[H])=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C(=O)c4c(c([H])c(O[H])c([H])c4O[H])O1C1(c2c([H])c([H])c(O[H])c(O[H])c2[H])=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C(c4c(O1)c([H])c(O[H])c([H])c4O[H])=OC1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)OC1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)C(CO)O)O)O)O)OC1C(C(C(C(C1OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O)COO(C(C(c1c(O2)c([H])c(O[H])c([H])c1O[H])=O)=C2c3c([H])c([H])c(O[H])c(O[H])c3[H])[C@@]4([H])O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]4([H])O[H]c1(O[H])c(OC([H])([H])[H])c([H])c(C2=C(O[C@@]([H])(O[C@]3([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]3([H])O[H])C(=O)c4c(c([H])c(O[H])c([H])c4O[H])O2)c([H])c1[H]c1(O[H])c(O[H])c([H])c(C2=C(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O3)C(=O)c4c(c([H])c(O[H])c([H])c4O[H])O2)c([H])c1[H]c1(O[H])c([H])c(OC(c2c([H])c(O[H])c(O[H])c([H])c2[H])=C(O[C@@]3([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(C([H])([H])O[H])O3)C4=O)c4c(O[H])c1[H]c1(O[H])c([H])c(OC(c2c([H])c(O[H])c(O[H])c([H])c2[H])=C(O[C@]([H])(O[C@]3([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]3([H])O[H])C4=O)c4c(O[H])c1[H]c1(O[H])c([H])c(OC(c2c([H])c(O[H])c(O[H])c([H])c2[H])=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C4=O)c4c(O[H])c1[H]c1(O[H])c([H])c(OC(c2c([H])c([H])c(O[H])c(O[H])c2[H])=C(O[C@@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C4=O)c4c(O[H])c1[H]c1(O[H])c([H])c(OC(c2c([H])c([H])c(O[H])c(O[H])c2[H])=C(O[C@]3([H])O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[H])C4=O)c4c(O[H])c1[H]c1(O[H])c([H])c(OC(c2c([H])c([H])c(O[H])c(O[H])c2[H])=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C4=O)c4c(O[H])c1[H]c1(O[H])c([H])c(OC(c2c([H])c([H])c(O[H])c(O[H])c2[H])=C(O[C@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O3)C4=O)c4c(O[H])c1[H]c1([H])c(C2=C(O[C@@]3([H])O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]3([H])O[H])C(c4c(O2)c([H])c(O[H])c([H])c4O[H])=O)c([H])c(O[H])c(O[H])c1[H]c1([H])c(OC(c2c([H])c([H])c(O[H])c(O[H])c2[H])=C(O[C@](C([H])([H])[H])(O[C@@]3(C([H])([H])O[H])C([H])([H])[H])[C@@](O[H])(C([H])([H])[H])[C@](O[H])(C([H])([H])[H])[C@@]3(C([H])([H])[H])O[H])C4=O)c4c(O [H])c([H])c1O[H]c1([H])c(OC(c2c([H])c([H])c(O[H])c(O[H])c2[H])=C(O[C@]3([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])O[H])O3)C4=O)c4c(O[H])c([H])c1O[H]c1([H])c(O[H])c(C(=O)C(O[C@]2([H])O[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]2([H])O[H])=C(c3c([H])c(O[H])c(O[H])c([H])c3[H])O4)c4c([H])c1O[C@]5([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])( O[H])[C@@]([H])(C([H])([H])O[H])O5c1([H])c(O[H])c([H])c(OC(c2c([H])c(O[H])c(O[H])c([H])c2[H])=C(O[C@@]3([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O3)O[H])O[H])O[H])C4=O)c4c1O[H]

Zagreb

176180184

37 Flag

Chi 3 C

2.746492.815522.88456

Chi 3 P

12.881513.182913.4715

Chi V 0

15.984216.691317.6523

Chi V 1

10.03199.176899.64317

Chi V 2

7.115627.446087.62922

C Count

202126

Kappa 1

25.103726.074127.046

Kappa 2

10.545911.17099.93236

Kappa 3

4.897725.119995.35402

Mol Log P

-0.2359000000000007-0.5388999999999997-0.53890000000000020.12470000000000041.861600000000001

N Count

O Count

P Count

Sc 3 Ch

S Count

Version

v1v1,v2v2

Alog P Mr

102.926107.859112.628

Chi 3 Ch

Dipole X

0.270030.339180.977751.007151.0542.286642.506652.507092.510932.51132.643372.804872.843333.687794.543854.830874.943785.207056.227357.465787.46581

Dipole Y

-0.04486-1.24095-1.241-1.41381-4.605080.149961.248981.354731.916983.166914.257444.258594.258784.26294.263764.288064.421354.600464.736164.911155.99538

Dipole Z

-0.00798-0.0201-0.17614-0.22064-0.28138-0.85027-1.77561-1.79131-2.01315-3.562150.009270.018690.02160.023940.024320.201861.113641.125211.125751.638722.25959

Iac Mean

1.53531.544961.55352

In Ch Ikey

CIPXOJHYPOCFSV-RWGANMMZSA-NCQLRUIIRRZYHHS-ZPDSWMBYSA-NFZKBNCDAGYDHTP-OBLZSLNYSA-NOPJZLUXFQFQYAI-KHPGOBPMSA-NOVSQVDMCBVZWGM-DTGCRPNFSA-NOVSQVDMCBVZWGM-HBDJNLTOSA-NOVSQVDMCBVZWGM-LQSBFMDOSA-NOVSQVDMCBVZWGM-QSOFNFLRSA-NYAAGNRWEJSZFLV-ZDUSSCGKSA-N

Is Chiral

Ob Score

1.1657453721.1661.4281.4283971.4283972321.8581.8580782511.8699500251.871.8869787091.8869791.88715.9815.9804866315.9804873.8213.8214396033.821443.8593.8594818243.8594824.114.1101057875.8185.8184458925.8184465.9245.924195.924190296.938985827.4737.4732928347.4732938.3098.3093681318.309368;1.86995

Suppress

Tcm Name

地耳草; 柴胡夏枯草大巢菜山楂无毛山楂;展萼金丝桃;黄海棠;茵陈蒿;钩藤;云南山楂;地榆;淫羊藿;毛钩藤;老鹳草;鱼腥草;辽宁山楂;毛叶卫矛;山楂;湖北山楂;仙鹤草;金丝梅;款冬花;红筷子;照山白;近无柄金丝桃;蓼科;扬子小连翘;地耳草;集字木;蟋蟀;秤杆升麻;满山红;紫背鹿蹄草;鹿衔草;夏枯草;山里红;普通鹿蹄草;黄蜀葵花;察隅遍地金;贯叶连翘;挺茎遍地金;小野枇杷;龙芽草;野山楂;元宝草;朝鲜淫羊藿;川滇金丝桃;硫球蛇根草;猫眼草;遍地金; 三白草;甜山竹子;毛山楂;虎杖叶;罗布麻;荷叶;菟丝子;黑木金合欢;弯萼金丝桃;铃兰;甘肃山楂柿蒂桑枝; 青蒿沙棘沙菀子满山红美商陆荷叶葶苈子蒲公英; 益母草藤黄贯叶连翘;湖北卫茅;小叶枇杷;照山白;黑木金合欢;黄海棠金银花鱼腥草鹤草芽

Chi V 3 C

1.000641.030391.03601

Chi V 3 P

4.933645.237715.44202

Es Sum D O

13.16413.24613.347

Es Sum T N

E Adj Equ

520.358536.307552.273

E Adj Mag

713.16729.528745.95

Hba Count

Hbd Count

Iac Total

77.67681.88385.9773

Jurs Rasa

0.385980.390060.391960.394530.395570.397160.402010.403060.403630.403910.404730.406370.416350.41650.418390.419770.423630.431140.443640.46196

Jurs Rncg

0.090590.090920.09117

Jurs Rncs

2.571842.610812.669262.688743.760353.790233.799313.81883.857763.877253.896733.902283.916214.28644.422794.44227

Jurs Rpcg

0.120920.122020.12399

Jurs Rpcs

0.730130.748710.778650.80860.838550.854710.8685

Jurs Rpsa

0.538030.556350.568850.576360.580220.58160.583490.583640.593620.595260.596080.596360.596930.597980.602830.604420.605460.608030.609930.61401

Jurs Sasa

595.784595.857599.975601.033602.991606.905608.015609.466610.576610.628610.842611.712612.141612.232612.478613.627617.206617.607617.638618.913620.335

Jurs Tasa

233.556235.247239.352241.043241.526244.183245.391247.081248.289248.772249.98252.395253.119254.327256.259258.675266.645282.827

Jurs Tpsa

329.405334.388341.3343.389349.872356.219356.301356.515360.933362.301364.631365.059365.862367.658368.434369.049369.318374.22374.274374.73374.944

Num Atoms

323334

Num Bonds

353637

Num Rings

Shadow Xy

114.11115.743116.92116.921117.398117.711117.738117.951118.977120.163120.182120.356120.384120.554120.562120.661120.67120.699120.813124.801

Shadow Xz

46.026846.492946.504247.115847.5547.766247.772748.239248.253648.265148.279948.289748.328148.379449.64849.851250.009451.033451.79152.721853.1214

Shadow Yz

45.065545.075945.560345.566645.581545.700945.71345.726645.814545.826345.83645.910346.055647.935347.960648.567448.634948.640448.975749.398551.9952

Shadow Nu

2.429292.536192.591662.605722.699952.739652.911323.031533.031973.056053.062283.075333.076173.084413.08533.086383.198723.198943.199993.203853.33511

Tcm Name2

Bupleurum chinenseDA CHAO CAIDescurainia sophiaGUAN YE LIAN QIAO;MAO YE WEI MAO;XIAO YE PI PA;ZHAO SHAN BAI;HEI MU JIN HE HUAN;HUANG HAI TANGLonicera japonicaMAN SHAN HONGMEI SHANG LUTENG HUANGTaraxacum mongolicumWU MAO SHAN ZHA;ZHAN E JIN SI TAO;HUANG HAI TANG;YIN CHEN HAO;GOU TENG;YUN NAN SHAN ZHA;DI YU;YIN YANG HUO;MAO GOU TENG;LAO GUAN CAO;YU XING CAO;LIAO NING SHAN ZHA;MAO YE WEI MAO;Betula spp.;SHAN ZHA;HU BEI SHAN ZHA;XIAN HE CAO;JIN SI MEI;KUAN DONG HUA;HONG KUAI ZI;ZHAO SHAN BAI;JI WU BING JIN SI TAO;family Polygonaceae spp. (Polygonaceae);YANG ZI XIAO LIAN QIAO;DI ER CAO;JI ZI MU;XI SHU;CHENG GAN SHENG MA;MAN SHAN HONG;ZI BEI LU TI CAO;LU XIAN CAO;XIA KU CAO;SHAN LI HONG;PU TONG LU TI CAO;Occurs in many plants;HUANG SHU KUI HUA;CHA YU BIAN DI JIN;GUAN YE LIAN QIAO;TING JING BIAN DI JIN;XIAO YE PI PA;LONG YA CAO;YE SHAN ZHA;YUAN BAO CAO;CHAO XIAN YIN YANG HUO;CHUAN DIAN JIN SI TAO;LIU QIU SHE GEN CAO;MAO YAN CAO;BIAN DI JIN;SAN BAI CAO;TIAN SHAN ZHU ZI;MAO SHAN ZHA;HU ZHANG YE;LUO BU MA;HE YE;TU SI ZI;HEI MU JIN HE HUAN;WAN E JIN SI TAO;LING LAN;GAN SU SHAN ZHA

V Adj Equ

368.406382.52396.712

V Adj Mag

429.05444.235459.5

Mol2 Path

/TCM_database/13.补虚药(60-62)/2.补阳药(22-23)/沙菀子/structure/quercetin-3-O-beta-D-glucopyranoside.mol2/TCM_database/15.祛风湿药(23-26)/2.祛风湿清热药(5-8)/桑枝/strcuture/3D/isoquercitrin .mol2; /TCM_database/2.清热药(64-64)/5.清虚热药(5-5)/青蒿/structure/quercetin-glu.mol2/TCM_database/16.化湿药(9-9)/荷叶/structure/isoquercitrin.mol2/TCM_database/16.化湿药(9-9)/荷叶/structure/quercetin-3-O-galactopyranoside.mol2/TCM_database/18.驱虫药(9-9)/鹤草芽/3D/Isoquercetrin.mol2/TCM_database/2.清热药(64-64)/1.清热泻火药(13-13)/夏枯草/structure/quercertin 3-O-beta-D-glucopyranoside.mol2/TCM_database/2.清热药(64-64)/3.清热解毒药(30-30)/蒲公英/Taraxacum mongolicum/Structure/isoquercitrin.mol2; /TCM_database/8.活血化瘀药(33-33)/2.活血调经药(11-11)/益母草/Structures/isoquercitrin.mol2/TCM_database/2.清热药(64-64)/3.清热解毒药(30-30)/金银花/Lonicera japonica/structure/hyperoside.mol2/TCM_database/2.清热药(64-64)/3.清热解毒药(30-30)/鱼腥草/structure/hyperoside.mol2/TCM_database/2003_3d_all/4219.mol2/TCM_database/2003_3d_all/4220.mol2/TCM_database/2003_3d_all/4427.mol2/TCM_database/2003_3d_all/4506.mol2/TCM_database/2003_3d_all/4515.mol2/TCM_database/2003_3d_all/7197.mol2/TCM_database/4.利水渗湿药(27-27)/3.利水退黄药(5-5)/地耳草/structure/isoquercitrin.mol2/TCM_database/5.理气药(22-22)/柿蒂/Structure/hyperin.mol2/TCM_database/6.消食药(8-8)/山楂/structure/isoquercitrin.mol2/TCM_database/8.活血化瘀药(33-33)/2.活血调经药(11-11)/月季花/3D/quercetin glucoside.mol2/TCM_database/9.化痰止咳平喘药(34-34)/1.温化寒痰药(8-8)/沙棘/structure/Quercetin-3-O-galactoside.mol2/TCM_database/9.化痰止咳平喘药(34-34)/1.温化寒痰药(8-8)/沙棘/structure/quercetin 3-O-glucoside.mol2/TCM_database/9.化痰止咳平喘药(34-34)/3.止咳平喘药(11-11)/葶苈子/Descurainia sophia/Structure/quercetin-3-O-beta -D-glucopyranoside.mol2

Reference

2, 4, 658, 660, 661, 1521, 2508, 4013, 4097, 4422, 4445, 4527, 4723, 5034, 5341, 5501, 5508, 55272, 658, 660, 1521, 2080, 2489, 2548, 3080, 3507, 4013, 4097,4154, 4205, 4244, 4464, 4530, 4689, 4722, 4794, 5034, 5239, 5501, 5508, 5515, 552966, 1521658661

Chi V 3 Ch

Dipole Mag

3.184813.840614.439834.943924.943954.944034.945494.946014.961924.962575.004435.033035.157135.31865.39495.411396.558296.580326.836747.568267.56827

Es Sum Aa N

Es Sum Aa O

Es Sum D Nh

Es Sum Dd C

Es Sum Ds N

Es Sum S Oh

69.7978.66679.042

Es Sum Ss O

15.96316.45721.758

Es Sum T Ch

Es Sum Ts C

Kappa 1 Am

22.598523.564224.5319

Kappa 2 Am

8.399548.981369.57586

Kappa 3 Am

4.002374.21424.43811

Num Hdonors

678

Num Chains

Num Rings3

Num Rings4

Num Rings5

Num Rings6

Num Rings7

Num Rings8

Es Count D O

Es Count T N

Es Sum Aa Ch

5.2915.3585.956

Es Sum Aa Nh

Es Sum Aaa C

Es Sum Aas C

-1.574-2.698-2.779

Es Sum Aas N

Es Sum D Ch2

Es Sum Dds N

Es Sum Ds Ch

Es Sum Dss C

-1.735-1.935-2.019

Es Sum S Ch3

01.302

Es Sum S Nh2

Es Sum S Nh3

Es Sum Ss Nh

Es Sum Sss N

Jurs Dpsa 1

-281.342-303.956-316.906-321.372-324.791-328.927-336.254-336.468-336.539-340.366-342.652-343.081-344.199-344.281-353.234-355.622-355.677-356.007-363.025-363.93-366.008

Jurs Dpsa 3

136.588138.719140.438140.465143.024145.722145.795146.529146.704147.099147.866148.053148.215149.355149.558149.853150.127150.423151.343151.902151.921

Jurs Fnsa 1

0.729760.752860.764090.766480.768520.772570.775330.775410.775530.776750.778650.77890.780070.780230.785360.786630.789810.791530.799820.800260.80462

Jurs Fnsa 2

-3.1501-3.25873-3.30738-3.31768-3.32651-3.34406-3.35601-3.35635-3.35689-3.36214-3.37038-3.37145-3.37653-3.3772-3.39943-3.40493-3.41868-3.42612-3.43953-3.46201-3.46393

Jurs Fnsa 3

-0.19809-0.20453-0.20867-0.21191-0.21214-0.21343-0.21427-0.21432-0.2178-0.21794-0.21826-0.21837-0.2188-0.21901-0.22126-0.22154-0.22182-0.22198-0.2222-0.22351-0.22543

Jurs Fpsa 1

0.195370.199730.200170.208460.210180.213360.214630.219760.219920.221090.221340.223240.224460.224580.224660.227420.231470.233510.23590.247130.27023

Jurs Fpsa 2

0.357960.360130.360930.375880.378980.384710.3870.396260.396540.398660.39910.402530.404720.404950.405090.410070.417380.421060.425350.445610.49965

Jurs Fpsa 3

0.021380.021440.02280.023120.023330.023480.023760.023770.023810.023990.024070.024340.024360.024370.024950.025010.025050.025450.025810.02627

Jurs Pnsa 1

446.787452.495458.44460.287462.182470.702472.277473.441473.655477.182477.611479.002479.441480.743480.903483.291484.652485.418486.073487.737487.978

Jurs Pnsa 2

-1928.59-1958.6-1984.34-1992.33-2000.53-2037.41-2044.23-2049.27-2049.46-2050.2-2065.46-2067.32-2073.34-2080.88-2081.57-2091.9-2097.79-2101.11-2103.95-2111.15-2112.19

Jurs Pnsa 3

-121.273-122.925-125.193-126.248-127.914-130.721-130.837-130.91-131.835-132.508-133.508-133.67-134.519-134.85-135.041-135.259-135.432-137.15-137.385-137.389-137.426

Jurs Ppsa 1

116.416121.488121.729127.284128.975132.356132.839134.53135.496135.738136.462136.704137.187138.636140.81141.534141.776148.539165.445

Jurs Ppsa 3

13.016413.034113.922514.1914.192914.476514.535914.54514.590614.812114.868514.869614.885215.039115.109915.271515.314415.794615.8085

Jurs Wnsa 1

271.964273.537274.232275.053278.692285.678287.151288.295289.096289.329291.898292.365294.603295.086295.85296.718297.009297.259297.395300.837302.71

Jurs Wnsa 2

-1177.19-1180.75-1187-1190.55-1206.3-1221.19-1242.92-1247.87-1251.34-1252.35-1263.47-1265.49-1275.17-1277.27-1280.57-1284.33-1285.59-1286.67-1287.26-1302.16-1310.27

Jurs Wnsa 3

-73.8818-74.2475-75.1127-75.2167-77.1311-78.5547-79.8925-79.9652-80.0636-80.5669-81.6687-81.8248-81.841-82.6916-83.0843-83.3478-83.5367-83.7337-84.159-85.0294-85.2499

Jurs Wpsa 1

101.29169.36773.731574.189877.716779.142580.726482.105282.21682.293782.351382.530583.770183.799584.225384.429284.907184.917185.626986.834689.2767

Jurs Wpsa 3

7.899747.943838.454168.500718.709138.860178.871298.897378.903618.980268.996489.089359.092549.111139.142149.16259.18299.288699.375989.493059.68237

Num Pi Bonds

Tcm Name En

Agrimonia pilosaAmerican PokeweedCommon St. Johnswort;Sacred Spindle-tree ;Savoury Rhododendron ;Manchurian Rhododendron ;AustraIian Biackwood;Giant St. johnswort Common VetchCrataegus pinnatifidaDahurian RhododendronDandelion; YI MU CAOGamboge Tree Resin Hairless Chinese Hawthorn;Lancaster’s St.John’swort;Giant St.John’swort;Capillary Wormwood;Sharpleaf Gambirplant;Yunnan Hawthorn;Garden Burnet;Shorthorned Epimedium;Hirsute Gambirplant*;Wilford Cranesbill;Heartleaf Houttuynia;Redhaw Hawthorn;Sacred Spindle-tree;Chinese Hawthorn;Hupeh Hawthorn;Japanese Argimonia;Spreading St.John’swort;Common Coltsfoot;Willowherb (Firewood);Manchurian Rhododendron;Subsessile St.John’swort;;Faber’s St.John’swort;Japanese St.John’swort;Racemose Adina;Common Camptotheac;Lindley Eupatorium;Dahurian Rhododendron;Purpleback Pyrola;Chinese Pyrola;Common Selfheal;Red Fruit;Common Pyrola;Setose Abelmoschus;Chayu St.John’swort;Common St.John’swort;Elodia St.John’swort;Savoury Rhododendron;Hairyvein Agrimonia;Nippon Hawthorn;Sampson St.John’swort;Korean Epimedium;Forrest’s St.John’swort;Liukiu Ophiorrhiza*;Crescent-shaped Euphorbia;Wight’s St.John’swort;Chinese Lizardtail;Dulcin Garcinia*;Maximowicz Hawthorn;Japanese Fleeceflower Leaf;Dogbane;Hindu Lotus Leaf;Chinese Dodder Seed;Australian Blackwood;Curvedsepal St.John’swort;Lily of Valley;Kansu HawthornHouttuynia cordataLonicera confuseMorus alba; Artemisia annuaNelumbo nuciferaPrunella vulgarisSHA WAN ZISHI DITING LI ZIhypericum japonicum; Radix Bupleurisea-buckthorn

Level1 Name

13.补虚药(60-62)15.祛风湿药(23-26); 2.清热药(64-64)16.化湿药(9-9)18.驱虫药(9-9)2.清热药(64-64)4.利水渗湿药(27-27); 1.解表药(28-28)5.理气药(22-22)6.消食药(8-8)9.化痰止咳平喘药(34-34)

Level2 Name

1.清热泻火药(13-13)1.温化寒痰药(8-8)2.祛风湿清热药(5-8); 5.清虚热药(5-5)2.补阳药(22-23)3.利水退黄药(5-5); 2.发散风热药(12-12)3.止咳平喘药(11-11)3.清热解毒药(30-30)

Admet Psa 2 D

198.729210.615

Es Count Aa N

Es Count Aa O

Es Count D Nh

Es Count Dd C

Es Count Ds N

Es Count S Oh

Es Count Ss O

Es Count T Ch

Es Count Ts C

Es Sum Ss Ch2

-0.723-0.7410

Es Sum Ss Nh2

Es Sum Sss Ch

-8.291-8.401-9.456

Es Sum Sss Nh

Es Sum Ssss C

Es Sum Ssss N

Nplus O Count

Num H Donors

Admet Alog P98

-0.074-0.129-0.299

Admet Ext Ppb

-12.1834-16.1699-19.1966

Drug Likeness

0.2240.2290.2450.2540.443

Es Count Aa Ch

Es Count Aa Nh

Es Count Aaa C

Es Count Aas C

Es Count Aas N

Es Count D Ch2

Es Count Dds N

Es Count Ds Ch

Es Count Dss C

Es Count S Ch3

Es Count S Nh2

Es Count S Nh3

Es Count Ss Nh

Es Count Sss N

Es Sum Sssss P

Num Hacceptors

11127

Num Fragments

Num Hydrogens

182022

Num Ring Bonds

Organic Count

323334

Rad Of Gyration

3.8743.89643.913683.917443.919933.920293.92213.93913.94723.948033.951493.959653.959763.974323.976983.977013.977063.977353.977383.97873

Shadow Xyfrac

0.505390.535760.537840.548340.554810.562660.56390.583990.584190.584380.587250.588030.588220.588250.593250.594640.599210.61055

Shadow Xzfrac

0.592880.596810.59770.618050.619040.625710.663810.671350.67360.674660.67520.675860.679110.681090.686740.689180.69497

Shadow Yzfrac

0.604350.609040.612310.618050.635710.638770.670130.673070.682850.685140.68750.6880.692260.70120.70559

Strain Energy

36.3737.2937.6838.7738.8638.873939.9840.0140.2340.6742.8943.1343.2243.2743.4543.6143.7244.1

Es Count Ss Ch2

Es Count Ss Nh2

Es Count Sss Ch

Es Count Sss Nh

Es Count Ssss C

Es Count Ssss N

Molecular Mass

450.08464.095478.111

Molecular Sasa

589.899614.679641.229

Num Metal Atoms

Num Rings9 Plus

Shadow Xlength

13.785914.231714.274214.556714.58214.582114.690214.691514.727314.848214.848714.852714.853414.884414.948115.006715.350715.372515.435515.4437

Shadow Ylength

13.816513.820213.820913.826513.890813.894113.900413.902613.90313.906113.906613.908213.909313.912513.919314.222214.278215.040915.0912

Shadow Zlength

4.59224.592914.628174.763234.797124.798124.809254.809424.810094.812544.8144.815414.826994.828145.154575.456215.477995.491345.718035.725.86879

Level1 Name En

cough-suppressing and panting-calming medicinaldampness-resolving medicinaldampness-resolving medicinal; exterior-releasing medicinaldigestant medicinalheat-clearing medicinalqi-regulating medicinaltonifying and replenishing medicinalwind-dampness dispelling medicinal; heat-clearing medicinalworm-expelling medicinal

Level2 Name En

cold-phlegm resolving and warming medicinalcough-suppressing and panting-calming medicinalheat-clearing and detoxicating medicinalheat-clearing and fire-purging medicinalwater-draining and anti-icteric medicinal; wind-heat dispersingwind-dampness dispelling and heat clearing medicinal; deficiency heatclearing medicinalyang-tonifying medicinal

Admet Bbb Level

Isomeric Smiles

C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)OC1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OCC4[C@H]([C@H]([C@@H](C(O4)O)O)O)O)O)OC1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O)O)OC1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H](O4)[C@@H](CO)O)O)O)O)OC1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)OC1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)OC1=CC(=C(C=C1C2=C([C@H](C3=C(C=C(C=C3O2)O)O)O)O)O)OC1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O)COCOC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4[C@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O)O

Molecular Savol

524.643545.155566.841

Molecule Weight

302.25304.27316.28462.44464.37464.377|464.41464.41478.44612.54

Num Atom Classes

323334

Num Bridge Bonds

Num H Acceptors

Num Repeat Units

Admet Ext Cyp2 D6

-2.13777-2.59504-3.47949

Admet Solubility

-3.643-3.848-4.136

Canonical Smiles

C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)OC1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(O4)C(CO)O)O)O)O)OC1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OCC4C(C(C(C(O4)O)O)O)O)O)OC1=CC(=C(C=C1C2=C(C(C3=C(C=C(C=C3O2)O)O)O)O)O)OC1C(C(C(C(C1OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O)COCOC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O

Herb Alias Names

Hyperoside482-36-0HyperosidQuercetin 3-galactosideHyperozideQuercetin-3-O-galactosideQuercetin-3-galactosidequercetin galactosideQuercetin 3-D-galactoside

Minimized Energy

1.231.31.531.591.611.621.8616.416.631717.0117.2417.4117.4717.812.552.82.862.993.03

Molecular Weight

450.080462.120464.100466.110478.110612.130

Molecular Volume

323.44328.93330.65330.99331.33332.02332.36332.7333.39335336.13339.91340.94341.97344.02350.2361.52

Molecular Weight

0464.376464.38464.38 g/mol464.4 g/mol464.41478.403535

Molecule Formula

C21H20O12

Num Macro Chains

Molecular Formula

C20H18O12C21H20O12C21H22O12C22H22O11C22H22O12C26H28O17

Molecular Formula

C21H20O12C22H22O12C26H28O17C26H30O12

Molecular Formula

C15H12O7C21H20O12C22H22O11C22H22O12

Num Rotatable Bonds

145

Num Aromatic Bonds

Num Aromatic Rings

Num Explicit Atoms

323334

Num Explicit Bonds

353637

Num Negative Atoms

Num Positive Atoms

Link Ingredient Id

13513.01450.01465.03124.0

Num Macro Residues

Num Ring Assemblies

Num Rotatable Bonds

345

Molecular Polar Sasa

316.124345.595

Num Bridge Head Atoms

Num Chain Assemblies

Num Meso Stereo Atoms

Molecular Solubility

-1.348-1.587-1.837

Admet Ext Hepatotoxic

-0.2268-4.53585-5.06614

Admet Unknown Alog P98

Molecular Surface Area

395.05413.21437.28

Num Explicit Hydrogens

Num H Donors Lipinski

Num Pseudo Stereo Atoms

Admet Absorption Level

Admet Solubility Level

Admet Ext Ppb#Prediction

Num H Acceptors Lipinski

Molecular Polar Surface Area

195.59206.59206.6207

Admet Ext Cyp2 D6#Prediction

Molecular Fractional Polar Sasa

0.4920.5620.585

Admet Ext Ppb Applicability#Md

12.281612.851121.0838

Fda Maximum Daily Dose (Fdamdd)

0.0040.0050.0090.0110.0150.0160.0180.0200.0420.143

Admet Ext Hepatotoxic#Prediction

Admet Ext Cyp2 D6 Applicability#Md

13.431913.640615.3643

Admet Ext Ppb Applicability#Mdpvalue

00.0092130.0482160.04822

Molecular Fractional Polar Surface Area

0.4470.4990.522

Admet Ext Hepatotoxic Applicability#Md

10.037110.850710.9915

Admet Ext Cyp2 D6 Applicability#Mdpvalue

0.0001081e-066.5e-05

Admet Ext Hepatotoxic Applicability#Mdpvalue

0.0063670.0098580.083048

Quantitative Estimate Of Drug Likeness（Qed）

0.1230.2240.2290.2360.2450.2540.256