ITCMDBv1
IngredientID 32228

Rutin

C27H30O16

Back to Browse

Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

Click a node to open it in a new tab
Herb: 12Ingredient: 1Reference: 12Target: 12Links: 36
Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
32228
Core Entity Id
39012
Source Entity Count
1
Preferred Name
Rutin
Name En
Pubchem Id
5280805
Smiles Canonical
C([H])([H])([H])[C@@]1([H])O[C@@]([H])(OC([H])([H])[C@@]2([H])O[C@@]([H])(OC3=C(c4c([H])c([H])c(O[H])c(O[H])c4[H])Oc5c(C3=O)c(O[H])c([H])c(O[H])c5[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@] ([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
Molecular Formula
C27H30O16
Molecular Weight
610.5210
Inchikey
IKGXIBQEEMLURG-NVPNHPEKSA-N
Inchi
InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
Isomeric Smiles
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
Cas Id
56764-99-9
Ob Score
3.2015
Mol Logp
-1.6871
Num H Donors
10
Num H Acceptors
16
Num Rotatable Bonds
15
Drug Likeness
0.0760
Polar Surface Area
266.0000
Molecular Volume
362.0000
Alogp
-1.0000

Names

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

Name
Sophora Japonica
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Troxerutin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Quercetin,3-O-Rutinoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Quercetin,3-o-rutinoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Quercetin,3-o-rutinoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Rutin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Rutin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Rutin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sophora Japonica
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Troxerutin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Troxerutin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Troxerutin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Troxerutin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Troxerutin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
quercetin,3-o-rutinoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
quercetin-3-O-rutinoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
rutin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
小茴香
Role
TCM_name
Source
TCMBank
Preferred
No
Name
杜仲
Role
TCM_name
Source
TCMBank
Preferred
No
Name
柴胡
Role
TCM_name
Source
TCMBank
Preferred
No
Name
白果;黄海棠;野山楂;雪墨旱莲;扬子小连翘;毛钩藤;叶下珠;山里红; 雪莲;天荞麦根;挺茎遍地金;柬埔寨古柯;面头叶;款冬花;集字木;大枣;无毛山楂;醋柳果;西藏沙棘;湖北山楂;梅花风毛菊;益母草;黑子立国际蔘;甘草;遍地金;毛山楂;中亚沙棘;贯叶连翘;苏区风毛菊;荞麦秸;水草紫竹调;山楂;西红柿;毛果一枝黄花;曲轴海金沙;金丝梅;桑叶;香唐松草;椭圆钩藤;蒺藜苗;绞股蓝;梧桐叶;塞尔维亚蓍草;笑话风毛菊;江孜沙棘;中国沙棘;虎杖叶;山莴苣;莨菪子;云南山楂;苦荞麦;弯萼金丝桃;鱼腥草;荞麦;槐;兰屿落叶榕;甘肃山楂;仙鹤草;辽宁山楂;肋果沙棘;小蓟;黄花蒿;蒲黄;仙人掌;芦荟(库拉索芦荟);老鸦柿;油柑叶;赤桉;田葱;北沙参;云南沙棘;臭草;红花;顿堡雪莲; 小风毛菊;异株荨麻;荷叶风毛菊;槐角;光枝勾儿茶;黄蒿
Role
TCM_name
Source
TCMBank
Preferred
No
Name
苎麻根;白花蛇舌草;金荞麦
Role
TCM_name
Source
TCMBank
Preferred
No
Name
金银花
Role
TCM_name
Source
TCMBank
Preferred
No
Name
BAI GUO;Saussurea amarafisch;HUANG HAI TANG;YE SHAN ZHA;Saussurea prostrata;YANG ZI XIAO LIAN QIAO;MAO GOU TENG;YE XIA ZHU;SHAN LI HONG;XUE LIAN;TIAN QIAO MAI GEN;TING JING BIAN DI JIN;JIAN PU ZHAI GU KE;MIAN TOU YE;KUAN DONG HUA;JI ZI MU;DA ZAO;WU MAO SHAN ZHA;CU LIU GUO;XI ZANG SHA JI;HU BEI SHAN ZHA;MEI HUA FENG MAO JU;YI MU CAO;HEI ZI LI GUO JI SHENG;GAN CAO;BIAN DI JIN;MAO SHAN ZHA;ZHONG YA SHA JI;GUAN YE LIAN QIAO;SHU QU FENG MAO JU;QIAO MAI JIE;Polygonum sp;SHAN ZHA;FAN QIE;MAO GUO YI ZHI HUANG HUA;QU ZHOU HAI JIN SHA;JIN SI MEI;SANG YE;XIANG TANG SONG CAO;TUO YUAN GOU TENG;JI LI MIAO;JIAO GU LAN;YE WU TONG;SAI ER WEI YA SHI CAO;XIAO HUA FENG MAO JU;Occurs in many plants;JIANG ZI SHA JI;ZHONG GUO SHA JI;HU ZHANG YE;SHAN WO JU;LANG DANG ZI;YUN NAN SHAN ZHA;KU QIAO MAI;WAN E JIN SI TAO;YU XING CAO;QIAO MAI;HUAI;LAN YU LUO YE RONG;GAN SU SHAN ZHA;XIAN HE CAO;LIAO NING SHAN ZHA;LEI GUO SHA JI;XIAO JI;HUANG HUA HAO;PU HUANG;XIAN REN ZHANG;LU HUI;LAO YA SHI;YOU GAN YE;CHI AN;TIAN CONG;BEI SHA SHEN;YUN NAN SHA JI;CHOU CAO;HONG HUA;DUN BAO XUE LIAN;Saussurea soroseris;YI ZHU QIAN MA;HE YE FENG MAO JU;HUAI JIAO;GUANG ZHI GOU ER CHA;HUANG HAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Bupleurum chinense
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Lonicera dasystyla
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Eucommia ulmoides
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Foeniculum vulgare
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Ginkgo Nut;Giant St.John’swort;Nippon Hawthorn;Faber’s St.John’swort;Hirsute Gambirplant*;Common Leafflower;Red Fruit;Snow Lotus;Golden Buckwheat Root;Elodia St.John’swort;Cambodia Coca Shrub*;Smallleaf Knema;Common Coltsfoot;Racemose Adina;Chinese Date;Hairless Chinese Hawthorn;Seabuckthorn Fruit;Tibet Seabuckthorn;Hupeh Hawthorn;Beautiful-flowered Saussurea;Wormwood-like Motherwort;Black-purple Scurrula*;Ural Licorice;Wight’s St.John’swort;Maximowicz Hawthorn;Central Asia Seabuckthorn*;Common St.John’swort;Cudweed-like Saussurea;Common Buckwheat Stem;Chinese Hawthorn;Tomato;European Goldenrod;Flexuose Climbing Fern;Spreading St.John’swort;White Mulberry Leaf;Tibetan Meadowrue;Elliptic Gambirplant*;Puncturevine Caltrap Shoot*;Fiveleaf Gynostemma;Japanese Mallotus;Serbian Yarrow;Smallflower Saussurea*;Jiangzi Seabuckthorn*;Chinese Seabuckthorn*;Japanese Fleeceflower Leaf;Indian Lettuce;Black Henbane Seed;Yunnan Hawthorn;Tartarian Buckwheat;Curvedsepal St.John’swort;Heartleaf Houttuynia;Common Buckwheat;Japanese Pagodatree;Kansu Hawthorn;Japanese Argimonia;Redhaw Hawthorn;Veinfruit Seabuckthorn;Setose Thistle;Sweet Wormwood;Longbract Cattail Pollen;Cholla;Kulaso Aloe Dried Juice;Diamondleaf Persimmon;Emblic Leafflower Leaf;Longbeak Eucalyptus;Woolly Philydrum;Coastal Glehnia;Yunnan Seabuckthorn*;Common Rue;Safflower;Blacken Saussurea;Dioecious Nettle;Grassleaf Saussurea;Japanese Pagodatree Fruit;Smoothbranched Supplejack;Virgate Wormwood
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Lonicera confuse
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Radix Boehmeriae;Oldenlandia diffusa;Fagopyrum dibotrys
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Radix Bupleuri
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
153-18-4
Role
alias
Source
HERB_v2
Preferred
No
Name
153-18-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
21913-99-5
Role
alias
Source
TCMBank
Preferred
No
Name
3',4',7-Trihydroxyflavanone
Role
alias
Source
TCMBank
Preferred
No
Name
4CN-1039
Role
alias
Source
TCMBank
Preferred
No
Name
7085-55-4
Role
alias
Source
HERB_v2
Preferred
No
Name
7085-55-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1MRPVU
Role
alias
Source
TCMBank
Preferred
No
Name
ACon1_000269
Role
alias
Source
TCMBank
Preferred
No
Name
BRD-A75085792-001-01-8
Role
alias
Source
TCMBank
Preferred
No
Name
Birutan
Role
alias
Source
HERB_v2
Preferred
No
Name
Birutan
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL3401430
Role
alias
Source
TCMBank
Preferred
No
Name
Eldrin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Eldrin
Role
alias
Source
HERB_v2
Preferred
No
Name
Globulariacitrin
Role
alias
Source
HERB_v2
Preferred
No
Name
Globulariacitrin
Role
alias
Source
itcmdb_public
Preferred
No
Name
MCULE-9899038190
Role
alias
Source
TCMBank
Preferred
No
Name
MEGxp0_000004
Role
alias
Source
TCMBank
Preferred
No
Name
MolPort-001-740-173
Role
alias
Source
TCMBank
Preferred
No
Name
Myrticolorin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Myrticolorin
Role
alias
Source
HERB_v2
Preferred
No
Name
NCGC00180724-01
Role
alias
Source
TCMBank
Preferred
No
Name
NP-000008
Role
alias
Source
TCMBank
Preferred
No
Name
Pherarutin
Role
alias
Source
HERB_v2
Preferred
No
Name
Pherarutin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phytomelin
Role
alias
Source
HERB_v2
Preferred
No
Name
Phytomelin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Posorutin
Role
alias
Source
HERB_v2
Preferred
No
Name
Posorutin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Quercetin 3-rutinoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Quercetin 3-rutinoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
RUTIN
Role
alias
Source
HERB_v2
Preferred
No
Name
RUTIN
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL5504140
Role
alias
Source
TCMBank
Preferred
No
Name
Sophorin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sophorin
Role
alias
Source
HERB_v2
Preferred
No
Name
Trihydroxyethylrutin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Trihydroxyethylrutin
Role
alias
Source
HERB_v2
Preferred
No
Name
Trioxyethylrutin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Trioxyethylrutin
Role
alias
Source
HERB_v2
Preferred
No
Name
Troxerutine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Troxerutine
Role
alias
Source
HERB_v2
Preferred
No
Name
Vastribil
Role
alias
Source
HERB_v2
Preferred
No
Name
Vastribil
Role
alias
Source
itcmdb_public
Preferred
No
Name
Veinamitol
Role
alias
Source
HERB_v2
Preferred
No
Name
Veinamitol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Vitamin P4
Role
alias
Source
HERB_v2
Preferred
No
Name
Vitamin P4
Role
alias
Source
itcmdb_public
Preferred
No
Name
rutoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
rutoside
Role
alias
Source
HERB_v2
Preferred
No
Name
侧柏叶
Role
alias
Source
TCMBank
Preferred
No
Name
小蓟
Role
alias
Source
TCMBank
Preferred
No
Name
1.解表药(28-28)
Role
level1_name
Source
TCMBank
Preferred
No
Name
13.补虚药(60-62)
Role
level1_name
Source
TCMBank
Preferred
No
Name
17.温里药(11-13)
Role
level1_name
Source
TCMBank
Preferred
No
Name
2.清热药(64-64)
Role
level1_name
Source
TCMBank
Preferred
No
Name
7.止血药(25-26);2.清热药(64-64)
Role
level1_name
Source
TCMBank
Preferred
No
Name
exterior-releasing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
heat-clearing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
hemostatic medicinal;heat-clearing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
interior-warming medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
tonifying and replenishing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
1.凉血止血药(8-9);3.清热解毒药(30-30)
Role
level2_name
Source
TCMBank
Preferred
No
Name
2.发散风热药(12-12)
Role
level2_name
Source
TCMBank
Preferred
No
Name
2.补阳药(22-23)
Role
level2_name
Source
TCMBank
Preferred
No
Name
3.清热解毒药(30-30)
Role
level2_name
Source
TCMBank
Preferred
No
Name
blood-cooling hemostatic medicinal;heat-clearing and detoxicating medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
heat-clearing and detoxicating medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
wind-heat dispersing
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
yang-tonifying medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
沙棘
Role
TCM_name
Source
TCMBank
Preferred
No
Name
sea-buckthorn
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
9.化痰止咳平喘药(34-34)
Role
level1_name
Source
TCMBank
Preferred
No
Name
cough-suppressing and panting-calming medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
1.温化寒痰药(8-8)
Role
level2_name
Source
TCMBank
Preferred
No
Name
cold-phlegm resolving and warming medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

Sophora JaponicaTroxerutinQuercetin,3-O-Rutinosidequercetin-3-O-rutinoside小茴香杜仲柴胡白果;黄海棠;野山楂;雪墨旱莲;扬子小连翘;毛钩藤;叶下珠;山里红; 雪莲;天荞麦根;挺茎遍地金;柬埔寨古柯;面头叶;款冬花;集字木;大枣;无毛山楂;醋柳果;西藏沙棘;湖北山楂;梅花风毛菊;益母草;黑子立国际蔘;甘草;遍地金;毛山楂;中亚沙棘;贯叶连翘;苏区风毛菊;荞麦秸;水草紫竹调;山楂;西红柿;毛果一枝黄花;曲轴海金沙;金丝梅;桑叶;香唐松草;椭圆钩藤;蒺藜苗;绞股蓝;梧桐叶;塞尔维亚蓍草;笑话风毛菊;江孜沙棘;中国沙棘;虎杖叶;山莴苣;莨菪子;云南山楂;苦荞麦;弯萼金丝桃;鱼腥草;荞麦;槐;兰屿落叶榕;甘肃山楂;仙鹤草;辽宁山楂;肋果沙棘;小蓟;黄花蒿;蒲黄;仙人掌;芦荟(库拉索芦荟);老鸦柿;油柑叶;赤桉;田葱;北沙参;云南沙棘;臭草;红花;顿堡雪莲; 小风毛菊;异株荨麻;荷叶风毛菊;槐角;光枝勾儿茶;黄蒿苎麻根;白花蛇舌草;金荞麦金银花BAI GUO;Saussurea amarafisch;HUANG HAI TANG;YE SHAN ZHA;Saussurea prostrata;YANG ZI XIAO LIAN QIAO;MAO GOU TENG;YE XIA ZHU;SHAN LI HONG;XUE LIAN;TIAN QIAO MAI GEN;TING JING BIAN DI JIN;JIAN PU ZHAI GU KE;MIAN TOU YE;KUAN DONG HUA;JI ZI MU;DA ZAO;WU MAO SHAN ZHA;CU LIU GUO;XI ZANG SHA JI;HU BEI SHAN ZHA;MEI HUA FENG MAO JU;YI MU CAO;HEI ZI LI GUO JI SHENG;GAN CAO;BIAN DI JIN;MAO SHAN ZHA;ZHONG YA SHA JI;GUAN YE LIAN QIAO;SHU QU FENG MAO JU;QIAO MAI JIE;Polygonum sp;SHAN ZHA;FAN QIE;MAO GUO YI ZHI HUANG HUA;QU ZHOU HAI JIN SHA;JIN SI MEI;SANG YE;XIANG TANG SONG CAO;TUO YUAN GOU TENG;JI LI MIAO;JIAO GU LAN;YE WU TONG;SAI ER WEI YA SHI CAO;XIAO HUA FENG MAO JU;Occurs in many plants;JIANG ZI SHA JI;ZHONG GUO SHA JI;HU ZHANG YE;SHAN WO JU;LANG DANG ZI;YUN NAN SHAN ZHA;KU QIAO MAI;WAN E JIN SI TAO;YU XING CAO;QIAO MAI;HUAI;LAN YU LUO YE RONG;GAN SU SHAN ZHA;XIAN HE CAO;LIAO NING SHAN ZHA;LEI GUO SHA JI;XIAO JI;HUANG HUA HAO;PU HUANG;XIAN REN ZHANG;LU HUI;LAO YA SHI;YOU GAN YE;CHI AN;TIAN CONG;BEI SHA SHEN;YUN NAN SHA JI;CHOU CAO;HONG HUA;DUN BAO XUE LIAN;Saussurea soroseris;YI ZHU QIAN MA;HE YE FENG MAO JU;HUAI JIAO;GUANG ZHI GOU ER CHA;HUANG HAOBupleurum chinenseLonicera dasystylaEucommia ulmoidesFoeniculum vulgareGinkgo Nut;Giant St.John’swort;Nippon Hawthorn;Faber’s St.John’swort;Hirsute Gambirplant*;Common Leafflower;Red Fruit;Snow Lotus;Golden Buckwheat Root;Elodia St.John’swort;Cambodia Coca Shrub*;Smallleaf Knema;Common Coltsfoot;Racemose Adina;Chinese Date;Hairless Chinese Hawthorn;Seabuckthorn Fruit;Tibet Seabuckthorn;Hupeh Hawthorn;Beautiful-flowered Saussurea;Wormwood-like Motherwort;Black-purple Scurrula*;Ural Licorice;Wight’s St.John’swort;Maximowicz Hawthorn;Central Asia Seabuckthorn*;Common St.John’swort;Cudweed-like Saussurea;Common Buckwheat Stem;Chinese Hawthorn;Tomato;European Goldenrod;Flexuose Climbing Fern;Spreading St.John’swort;White Mulberry Leaf;Tibetan Meadowrue;Elliptic Gambirplant*;Puncturevine Caltrap Shoot*;Fiveleaf Gynostemma;Japanese Mallotus;Serbian Yarrow;Smallflower Saussurea*;Jiangzi Seabuckthorn*;Chinese Seabuckthorn*;Japanese Fleeceflower Leaf;Indian Lettuce;Black Henbane Seed;Yunnan Hawthorn;Tartarian Buckwheat;Curvedsepal St.John’swort;Heartleaf Houttuynia;Common Buckwheat;Japanese Pagodatree;Kansu Hawthorn;Japanese Argimonia;Redhaw Hawthorn;Veinfruit Seabuckthorn;Setose Thistle;Sweet Wormwood;Longbract Cattail Pollen;Cholla;Kulaso Aloe Dried Juice;Diamondleaf Persimmon;Emblic Leafflower Leaf;Longbeak Eucalyptus;Woolly Philydrum;Coastal Glehnia;Yunnan Seabuckthorn*;Common Rue;Safflower;Blacken Saussurea;Dioecious Nettle;Grassleaf Saussurea;Japanese Pagodatree Fruit;Smoothbranched Supplejack;Virgate WormwoodLonicera confuseRadix Boehmeriae;Oldenlandia diffusa;Fagopyrum dibotrysRadix Bupleuri153-18-42-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one21913-99-53',4',7-Trihydroxyflavanone4CN-10397085-55-4AC1MRPVUACon1_000269BRD-A75085792-001-01-8BirutanCHEMBL3401430EldrinGlobulariacitrinMCULE-9899038190MEGxp0_000004MolPort-001-740-173MyrticolorinNCGC00180724-01NP-000008PherarutinPhytomelinPosorutinQuercetin 3-rutinosideSCHEMBL5504140SophorinTrihydroxyethylrutinTrioxyethylrutinTroxerutineVastribilVeinamitolVitamin P4rutoside侧柏叶小蓟1.解表药(28-28)13.补虚药(60-62)17.温里药(11-13)2.清热药(64-64)7.止血药(25-26);2.清热药(64-64)exterior-releasing medicinalheat-clearing medicinalhemostatic medicinal;heat-clearing medicinalinterior-warming medicinaltonifying and replenishing medicinal1.凉血止血药(8-9);3.清热解毒药(30-30)2.发散风热药(12-12)2.补阳药(22-23)3.清热解毒药(30-30)blood-cooling hemostatic medicinal;heat-clearing and detoxicating medicinalheat-clearing and detoxicating medicinalwind-heat dispersingyang-tonifying medicinal沙棘sea-buckthorn9.化痰止咳平喘药(34-34)cough-suppressing and panting-calming medicinal1.温化寒痰药(8-8)cold-phlegm resolving and warming medicinal

Cross References

Trusted external identifiers retained for this final record.

Cas
153-18-456764-99-96764-99-9
Hit
C0377
Herb
HBIN019094HBIN036662HBIN041662HBIN041663HBIN041664HBIN042670HBIN042672HBIN047263
Npass
NPC176740NPC218109
Tcmid
154081907227853318136180
Tcmsp
MOL000111MOL000415MOL002975MOL004648MOL012533
Sym Map
SMIT00039SMIT00174SMIT02781SMIT06533SMIT13279SMIT26873
Tcm Id
1152411525115261152711528115291153011531115321153311534133613564135651356613567135681356913570135711357213573135741357513576135771357813579135801358113582135831358413585150201502115022150231528015415155131551415515160311608216104161271705717058172481878318784187851878618787187881878918790187911879220645206462064720648206492381823819238209873
Pub Chem
52808055486699
Tcmbank
TCMBANKIN014807TCMBANKIN022352TCMBANKIN042539TCMBANKIN050574TCMBANKIN052124TCMBANKIN053056TCMBANKIN055832TCMBANKIN057721TCMBANKIN058535TCMBANKIN060264TCMBANKIN031920
Drug Bank
DB13124
Etcm Ingredient
Troxerutinquercetin,3-o-rutinoside
Itcmdb Generated
ITX-INGREDIENT-1B24EF03CFC0ITX-INGREDIENT-2BE029903BE8ITX-INGREDIENT-37EEEEA3CEE3ITX-INGREDIENT-4E52F4C4054CITX-INGREDIENT-59AD998D9FC2ITX-INGREDIENT-6A0C4FDEA7E0ITX-INGREDIENT-7492078E05A9ITX-INGREDIENT-8385C965F098ITX-INGREDIENT-8B708FE7A791ITX-INGREDIENT-C15A178CAA02ITX-INGREDIENT-5D1A93B32DEF

Attributes

Merged source attributes and domain-specific metadata.

Type
Blood ingredients,Other ingredients,Metabolic ingredients,QC ingredientsOther ingredientsQC ingredients
Alog P
-1
In Ch I
InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1InChI=1S/C33H42O19/c1-14-23(38)26(41)28(43)32(49-14)48-13-21-24(39)27(42)29(44)33(51-21)52-31-25(40)22-17(37)11-16(45-7-4-34)12-20(22)50-30(31)15-2-3-18(46-8-5-35)19(10-15)47-9-6-36/h2-3,10-12,14,21,23-24,26-29,32-39,41-44H,4-9,13H2,1H3/t14-,21+,23-,24+,26+,27-,28+,29+,32+,33-/m0/s1
Mol Wt
610.5210000000006742.6800000000006
Cas Id
56764-99-96764-99-9
Smiles
C([H])([H])([H])[C@@]1([H])O[C@@]([H])(OC([H])([H])[C@@]2([H])O[C@@]([H])(OC3=C(c4c([H])c([H])c(O[H])c(O[H])c4[H])Oc5c(C3=O)c(O[H])c([H])c(O[H])c5[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@] ([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]C1(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[C@@]4([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[ H])O4)O3)C(=O)c5c(O1)c([H])c(O[H])c([H])c5O[H]C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OCCO)C5=CC(=C(C=C5)OCCO)OCCO)O)O)O)O)O)OO1[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])OC([H])([H])[C@@]([H])([C@]([H])(O[H])[C@@]([H])(O[H])O[C@@]2([H])OC(=C(c3c([H])c(O[H])c(O[H])c([H])c3[H])Oc(c([H]) c4O[H])c5c(O[H])c4[H])C5=O)[C@]2([H])O[H]c1(O[H])c(O[H])c([H])c(C2=C(O[C@]([H])(O[C@]([H])(C([H])([H])O[C@]3([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])O3)[C@@]4([H])O[H])[C@]([H])(O[H])[C@@]4([H])O[H])C(=O)c5 c(c([H])c(O[H])c([H])c5O[H])O2)c([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[C@@]4([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([ H])(C([H])([H])[H])O4)O3)C5=O)c5c(O[H])c1[H]c1([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[C@]4([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]4([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C @@]3([H])O[H])C5=O)c5c(O[H])c([H])c1O[H]c1([H])c([H])c(C2=C(O[C@@]3([H])[C@@]([H])([C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[C@]4([H])[C@@]([H])([C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])O4)O[H])O3)O[H])C(=O)c(c(c ([H])c(O[H])c5[H])O[H])c5O2)c([H])c(O[H])c1O[H]
37 Flag
37
C Count
27
Mol Log P
-1.6871-2.690599999999997
N Count
0
O Count
16
P Count
0
S Count
0
Version
v1,v2v2
In Ch Ikey
IKGXIBQEEMLURG-NVPNHPEKSA-NIYVFNTXFRYQLRP-VVSTWUKXSA-N
Ob Score
3.2015333.2015331283.20231.59657431.5965743731.59769.939094
Suppress
0
Tcm Name
小茴香杜仲柴胡白果;黄海棠;野山楂;雪墨旱莲;扬子小连翘;毛钩藤;叶下珠;山里红; 雪莲;天荞麦根;挺茎遍地金;柬埔寨古柯;面头叶;款冬花;集字木;大枣;无毛山楂;醋柳果;西藏沙棘;湖北山楂;梅花风毛菊;益母草;黑子立国际蔘;甘草;遍地金;毛山楂;中亚沙棘;贯叶连翘;苏区风毛菊;荞麦秸;水草紫竹调;山楂;西红柿;毛果一枝黄花;曲轴海金沙;金丝梅;桑叶;香唐松草;椭圆钩藤;蒺藜苗;绞股蓝;梧桐叶;塞尔维亚蓍草;笑话风毛菊;江孜沙棘;中国沙棘;虎杖叶;山莴苣;莨菪子;云南山楂;苦荞麦;弯萼金丝桃;鱼腥草;荞麦;槐;兰屿落叶榕;甘肃山楂;仙鹤草;辽宁山楂;肋果沙棘;小蓟;黄花蒿;蒲黄;仙人掌;芦荟(库拉索芦荟);老鸦柿;油柑叶;赤桉;田葱;北沙参;云南沙棘;臭草;红花;顿堡雪莲; 小风毛菊;异株荨麻;荷叶风毛菊;槐角;光枝勾儿茶;黄蒿红景天苎麻根;白花蛇舌草;金荞麦金银花
Tcm Name2
BAI GUO;Saussurea amarafisch;HUANG HAI TANG;YE SHAN ZHA;Saussurea prostrata;YANG ZI XIAO LIAN QIAO;MAO GOU TENG;YE XIA ZHU;SHAN LI HONG;XUE LIAN;TIAN QIAO MAI GEN;TING JING BIAN DI JIN;JIAN PU ZHAI GU KE;MIAN TOU YE;KUAN DONG HUA;JI ZI MU;DA ZAO;WU MAO SHAN ZHA;CU LIU GUO;XI ZANG SHA JI;HU BEI SHAN ZHA;MEI HUA FENG MAO JU;YI MU CAO;HEI ZI LI GUO JI SHENG;GAN CAO;BIAN DI JIN;MAO SHAN ZHA;ZHONG YA SHA JI;GUAN YE LIAN QIAO;SHU QU FENG MAO JU;QIAO MAI JIE;Polygonum sp;SHAN ZHA;FAN QIE;MAO GUO YI ZHI HUANG HUA;QU ZHOU HAI JIN SHA;JIN SI MEI;SANG YE;XIANG TANG SONG CAO;TUO YUAN GOU TENG;JI LI MIAO;JIAO GU LAN;YE WU TONG;SAI ER WEI YA SHI CAO;XIAO HUA FENG MAO JU;Occurs in many plants;JIANG ZI SHA JI;ZHONG GUO SHA JI;HU ZHANG YE;SHAN WO JU;LANG DANG ZI;YUN NAN SHAN ZHA;KU QIAO MAI;WAN E JIN SI TAO;YU XING CAO;QIAO MAI;HUAI;LAN YU LUO YE RONG;GAN SU SHAN ZHA;XIAN HE CAO;LIAO NING SHAN ZHA;LEI GUO SHA JI;XIAO JI;HUANG HUA HAO;PU HUANG;XIAN REN ZHANG;LU HUI;LAO YA SHI;YOU GAN YE;CHI AN;TIAN CONG;BEI SHA SHEN;YUN NAN SHA JI;CHOU CAO;HONG HUA;DUN BAO XUE LIAN;Saussurea soroseris;YI ZHU QIAN MA;HE YE FENG MAO JU;HUAI JIAO;GUANG ZHI GOU ER CHA;HUANG HAOBupleurum chinenseLonicera dasystyla
Mol2 Path
/TCM_database/1.解表药(28-28)/2.发散风热药(12-12)/柴胡/Structure/Bupleurum chinense/rutin.mol2/TCM_database/7.止血药(25-26)/1.凉血止血药(8-9)/小蓟/Structures/rutin.mol2/TCM_database/7.止血药(25-26)/1.凉血止血药(8-9)/侧柏叶/Structures/rutin.mol2/TCM_database/13.补虚药(60-62)/1.补气药(15-15)/红景天/3D/rutin.mol2/TCM_database/13.补虚药(60-62)/2.补阳药(22-23)/杜仲/Structure/rutin.mol2/TCM_database/17.温里药(11-13)/小茴香/structure/quercetin-3-O-rutinoside.mol2/TCM_database/2.清热药(64-64)/3.清热解毒药(30-30)/金银花/Lonicera dasystyla/structure/rutin.mol2;/TCM_database/2.清热药(64-64)/3.清热解毒药(30-30)/金银花/Lonicera confuse/structure/rutin.mol2;/TCM_database/2.清热药(64-64)/3.清热解毒药(30-30)/金银花/Lonicera japonica/structure/rutin.mol2;/TCM_database/2.清热药(64-64)/3.清热解毒药(30-30)/金银花/Lonicera hypoglauca/structure/rutin.mol2/TCM_database/2003_3d_all/7428.mol2/TCM_database/7.止血药(25-26)/1.凉血止血药(8-9)/苎麻根/Structures/rutin.mol2
Reference
2, 4, 6, 231, 283, 594, 658, 660, 1521, 2545, 2986, 3014, 3018, 3073, 3080, 3764, 4154, 4205, 4247, 4329, 4415, 4461, 4464, 4607, 4641, 4689, 4794, 5239, 5341, 5501, 5507, 5508.
Num Hdonors
10
Tcm Name En
Eucommia ulmoidesFoeniculum vulgareGinkgo Nut;Giant St.John’swort;Nippon Hawthorn;Faber’s St.John’swort;Hirsute Gambirplant*;Common Leafflower;Red Fruit;Snow Lotus;Golden Buckwheat Root;Elodia St.John’swort;Cambodia Coca Shrub*;Smallleaf Knema;Common Coltsfoot;Racemose Adina;Chinese Date;Hairless Chinese Hawthorn;Seabuckthorn Fruit;Tibet Seabuckthorn;Hupeh Hawthorn;Beautiful-flowered Saussurea;Wormwood-like Motherwort;Black-purple Scurrula*;Ural Licorice;Wight’s St.John’swort;Maximowicz Hawthorn;Central Asia Seabuckthorn*;Common St.John’swort;Cudweed-like Saussurea;Common Buckwheat Stem;Chinese Hawthorn;Tomato;European Goldenrod;Flexuose Climbing Fern;Spreading St.John’swort;White Mulberry Leaf;Tibetan Meadowrue;Elliptic Gambirplant*;Puncturevine Caltrap Shoot*;Fiveleaf Gynostemma;Japanese Mallotus;Serbian Yarrow;Smallflower Saussurea*;Jiangzi Seabuckthorn*;Chinese Seabuckthorn*;Japanese Fleeceflower Leaf;Indian Lettuce;Black Henbane Seed;Yunnan Hawthorn;Tartarian Buckwheat;Curvedsepal St.John’swort;Heartleaf Houttuynia;Common Buckwheat;Japanese Pagodatree;Kansu Hawthorn;Japanese Argimonia;Redhaw Hawthorn;Veinfruit Seabuckthorn;Setose Thistle;Sweet Wormwood;Longbract Cattail Pollen;Cholla;Kulaso Aloe Dried Juice;Diamondleaf Persimmon;Emblic Leafflower Leaf;Longbeak Eucalyptus;Woolly Philydrum;Coastal Glehnia;Yunnan Seabuckthorn*;Common Rue;Safflower;Blacken Saussurea;Dioecious Nettle;Grassleaf Saussurea;Japanese Pagodatree Fruit;Smoothbranched Supplejack;Virgate WormwoodLonicera confuseRadix Boehmeriae;Oldenlandia diffusa;Fagopyrum dibotrysRadix BupleuriRhodiola rosea
Level1 Name
1.解表药(28-28)13.补虚药(60-62)17.温里药(11-13)2.清热药(64-64)7.止血药(25-26);2.清热药(64-64)
Level2 Name
1.凉血止血药(8-9);3.清热解毒药(30-30)1.补气药(15-15)2.发散风热药(12-12)2.补阳药(22-23)3.清热解毒药(30-30)
Num H Donors
10
Drug Likeness
0.0760.14
Num Hacceptors
1619
Level1 Name En
exterior-releasing medicinalheat-clearing medicinalhemostatic medicinal;heat-clearing medicinalinterior-warming medicinaltonifying and replenishing medicinal
Level2 Name En
blood-cooling hemostatic medicinal;heat-clearing and detoxicating medicinalheat-clearing and detoxicating medicinalqi-tonifying medicinalwind-heat dispersingyang-tonifying medicinal
Isomeric Smiles
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)OC[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OCCO)C5=CC(=C(C=C5)OCCO)OCCO)O)O)O)O)O)O
Molecule Weight
346.56610.57
Num H Acceptors
16
Canonical Smiles
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OCCO)C5=CC(=C(C=C5)OCCO)OCCO)O)O)O)O)O)O
Herb Alias Names
RUTIN153-18-4rutosidePhytomelinBirutanQuercetin 3-rutinosideSophorinMyrticolorinEldrinGlobulariacitrin
Molecular Weight
610.150742.230
Molecular Volume
362367368369
Molecular Weight
610.5 g/mol610.52611
Molecule Formula
C27H30O16
Molecular Formula
C27H30O16C33H42O19
Molecular Formula
C27H30O16
Molecular Formula
C27H30O16C33H42O19
Num Rotatable Bonds
156
Num Rotatable Bonds
6
Molecular Polar Surface Area
266
Fda Maximum Daily Dose (Fdamdd)
0.0010.007
Quantitative Estimate Of Drug Likeness（Qed）
0.0760.140