Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Experiment: 12Herb: 12Ingredient: 1Target: 12Links: 36
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31258
- Core Entity Id
- 37930
- Source Entity Count
- 1
- Preferred Name
- Quercetin
- Name En
- Pubchem Id
- 5280343
- Smiles Canonical
- O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
- Molecular Formula
- C15H10O7
- Molecular Weight
- 302.2380
- Inchikey
- REFJWTPEDVJJIY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H10O7/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/h1-5,16-19,21H
- Isomeric Smiles
- C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
- Cas Id
- 117-39-5
- Ob Score
- 46.4333
- Mol Logp
- 1.9880
- Num H Donors
- 5
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4340
- Polar Surface Area
- 127.4500
- Molecular Volume
- 210.9400
- Alogp
- 1.6300
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Quercetin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Quercetin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Quercetin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Quercetin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
quercetin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
水红花子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Fructus Polygoni Orientalis
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
117-39-5
Role
alias
Source
HERB_v2
Preferred
No
Name
117-39-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
Meletin
Role
alias
Source
HERB_v2
Preferred
No
Name
Meletin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Quercetine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Quercetine
Role
alias
Source
HERB_v2
Preferred
No
Name
Quercetol
Role
alias
Source
HERB_v2
Preferred
No
Name
Quercetol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Quercitin
Role
alias
Source
HERB_v2
Preferred
No
Name
Quercitin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Quertine
Role
alias
Source
HERB_v2
Preferred
No
Name
Quertine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sophoretin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sophoretin
Role
alias
Source
HERB_v2
Preferred
No
Name
Xanthaurine
Role
alias
Source
HERB_v2
Preferred
No
Name
Xanthaurine
Role
alias
Source
itcmdb_public
Preferred
No
Name
8.活血化瘀药(33-33)
Role
level1_name
Source
TCMBank
Preferred
No
Name
blood-activating and stasis-resolving medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
3.活血疗伤药(9-9)
Role
level2_name
Source
TCMBank
Preferred
No
Name
blood-activating trauma-curing medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
白花蛇舌草;益母草;侧柏叶;蒲公英;金荞麦
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Taraxacum mongolicum
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Oldenlandia diffusa;YI MU CAO;CE BAI YE;Dandelion;Fagopyrum dibotrys
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2.清热药(64-64)
Role
level1_name
Source
TCMBank
Preferred
No
Name
heat-clearing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
3.清热解毒药(30-30)
Role
level2_name
Source
TCMBank
Preferred
No
Name
heat-clearing and detoxicating medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
淫羊藿;女贞子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Epimedium sagittatum
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Epimedium Herb;Ligustrum lucidum
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
13.补虚药(60-62)
Role
level1_name
Source
TCMBank
Preferred
No
Name
tonifying and replenishing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
2.补阳药(22-23)
Role
level2_name
Source
TCMBank
Preferred
No
Name
yang-tonifying medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
旋覆花; 白果; 狭叶香蒲; 集字木; 红花; 大金钱草(金钱草; 伊比利亚栎; 黄芪(膜荚黄芪); 叶下珠; 箭叶淫羊藿; 老鹳草; 三七; 满山红; 黄海棠; 川八角莲; 三七; 漓江前胡; 苦蒿; 阿拉伯胶金合欢; 伊比利亚栎; 遍地金; 漓江前胡; 台湾黄檗; 扁桃; 桑寄生; 有色紫金牛; 旋覆花; 虎杖; 醋柳果; 水木雪莲; 贯叶连翘; 啤酒花菟丝子; 醋柳果; 紫菀; 石韦; 黄海棠;柽柳 地锦草; 仙人掌; 石苇; 罗布麻; 南非菟丝子; 卢氏冬凌草; 秤杆升麻; 元宝草; 苦蒿; 菟丝子; 文冠木; 木贼; 日本鹿蹄草; 蒲黄; 木贼; 近无柄金丝桃; ;云实叶 ;日本黄柏; ;川八角莲 ;十字甲 ;中国旋覆花 ;异株荨麻 ;仙鹤草 ;油柑叶 ;茵陈蒿 ;大菟丝子 ;槐 ;紫菀 ;多穗蓼 ;狼杷草 ;窄叶半枫荷 ;侧柏叶 ;茵陈蒿 ;牻牛儿苗 ;药用蒲公英 ;箭叶淫羊藿 ;红麻 ;桑叶 ;宽叶香蒲 B ;黄花蒿 ;山莴苣 ;窄叶半枫荷 ;入院杜鹃 ;展萼金丝桃 ;老鼠簕 ;猫眼草 ;珍珠梅 ;日本鹿蹄草 ;异株荨麻 ;鱼腥草 ;中亚沙棘 ;猫国度卷 ;虎杖; ;刺五加 ;菟丝子 ;槐角 ;白果叶(银杏叶) ;萹蓄 ;落叶松叶金丝桃 ;繖形科属（繖形科） ;中国旋覆花 ;大金钱草 ;黄蜀葵花 ;鹿衔草 ;狭叶香蒲 ;宽叶香蒲 ;委陵菜 ;鹿衔草 ;洋蒲桃叶 ;白果 ;蜂胶 ;黄花蒿 ;梁山杜鹃 ;北沙参 ;扁桃 ;岭南杜鹃 ;蒲黄 ;红麻 ;南方菟丝子 ;高良姜 ;金丝梅 ;杜仲叶 ;蟋蟀 ;照山白 ;多穗蓼 ;药用蒲公英 ;鱼腥草 ;中国沙棘 ;仙鹤草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XUAN FU HUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
British Inula
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
柴胡
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Bupleurum chinense
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Radix Bupleuri
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1.解表药(28-28)
Role
level1_name
Source
TCMBank
Preferred
No
Name
exterior-releasing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
2.发散风热药(12-12)
Role
level2_name
Source
TCMBank
Preferred
No
Name
wind-heat dispersing
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
仙鹤草Agrimonia pilosa; 老鹳草; 山楂; 积雪草; 鹤草芽
Role
TCM_name
Source
TCMBank
Preferred
No
Name
野老鹳草 Geranium carolinianum;
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Agrimonia pilosa; Herba Geranii; Crataegus pinnatifida; Centella asiatica; Agrimonia pilosa
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
7.止血药(25-26); 15.祛风湿药(23-26); 6.消食药(8-8); 2.清热药(64-64); 18.驱虫药(9-9)
Role
level1_name
Source
TCMBank
Preferred
No
Name
hemostatic medicinal; wind-dampness dispelling medicinal; digestant medicinal; heat-clearing medicinal; worm-expelling medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
3.收敛止血药(9-9); 1.祛风湿散寒药(13-13); 2.清热燥湿药(10-10)
Role
level2_name
Source
TCMBank
Preferred
No
Name
astringent hemostatic medicinal; wind-dampness dispelling and cold dispersing medicinal; heat-clearing and dampness-drying medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
矮地茶;月季花;苦蔘;杜仲;地耳草;荷叶;红景天
Role
TCM_name
Source
TCMBank
Preferred
No
Name
AI DI CHA;YUE JI HUA;Sophora flavescens;Eucommia ulmoides;hypericum japonicum;Nelumbo nucifera;Rhodiola rosea
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
9.化痰止咳平喘药(34-34);8.活血化瘀药(33-33);2.清热药(64-64);13.补虚药(60-62);4.利水渗湿药(27-27);16.化湿药(9-9);13.补虚药(60-62)
Role
level1_name
Source
TCMBank
Preferred
No
Name
cough-suppressing and panting-calming medicinal;blood-activating and stasis-resolving medicinal;heat-clearing medicinal;tonifying and replenishing medicinal;dampness-resolving medicinal;tonifying and replenishing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
3.止咳平喘药(11-11);2.活血调经药(11-11);2.清热燥湿药(10-10);2.补阳药(22-23);3.利水退黄药(5-5);1.补气药(15-15)
Role
level2_name
Source
TCMBank
Preferred
No
Name
cough-suppressing and panting-calming medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
117-39-5 (NEUTRAL )
Role
alias
Source
TCMBank
Preferred
No
Name
2-(3, 4-Dihydroxyphenyl)-3, 5, 7-trihydroxy-4H-1-benzopyran-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
2-(3, 4-dihydroxyphenyl)-3, 5, 7-trihydroxy-4-chromenone
Role
alias
Source
TCMBank
Preferred
No
Name
2-(3, 4-dihydroxyphenyl)-3, 5, 7-trihydroxy-4H-chromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
2-(3, 4-dihydroxyphenyl)-3, 5, 7-trihydroxy-chromone
Role
alias
Source
TCMBank
Preferred
No
Name
2-(3, 4-dihydroxyphenyl)-3, 5, 7-trihydroxychromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
2-(3, 4-dihydroxyphenyl)-3, 5-dihydroxy-4-oxo-4-chromen-7-olate
Role
alias
Source
TCMBank
Preferred
No
Name
2-(3, 4-dihydroxyphenyl)-5, 7-dihydroxy-4-oxo-1-benzopyran-3-olate
Role
alias
Source
TCMBank
Preferred
No
Name
2-[3, 4-bis(oxidanyl)phenyl]-5, 7-bis(oxidanyl)-4-oxidanylidene-chromen-3-olate
Role
alias
Source
TCMBank
Preferred
No
Name
3', 4', 5, 7-Tetrahydroxyflavan-3-ol
Role
alias
Source
TCMBank
Preferred
No
Name
3', 4', 5, 7-tetrahydroxyflavon-3-ol
Role
alias
Source
TCMBank
Preferred
No
Name
3, 3', 4', 5, 6-pentahydroxyflavone
Role
alias
Source
TCMBank
Preferred
No
Name
3, 3', 4', 5-7-pentahydroxyflavone
Role
alias
Source
TCMBank
Preferred
No
Name
3, 5, 7, 3', 4'-Pentahydroxyflavone
Role
alias
Source
TCMBank
Preferred
No
Name
3, 5, 7, 3', 4'-pentahydroflavone
Role
alias
Source
TCMBank
Preferred
No
Name
3, 5, 7-Trihydroxy-2-(3, 4-dihydroxyphenyl)-4H-chromen-4-on
Role
alias
Source
TCMBank
Preferred
No
Name
3, 5-Dihydroxy-2-(3, 4-dihydroxyphenyl)-4-oxo-4H-1-benzopyran-7-ol anion
Role
alias
Source
TCMBank
Preferred
No
Name
3, 7-Dihydroxy-2-(3, 4-dihydroxyphenyl)-4-oxo-4H-1-benzopyran-5-ol anion
Role
alias
Source
TCMBank
Preferred
No
Name
4-(3, 5, 7-Trihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenol anion
Role
alias
Source
TCMBank
Preferred
No
Name
4H-1-Benzopyran-4-one, 2-(3, 4-dihydroxyphenyl)-3, 5, 7-trihydroxy-
Role
alias
Source
TCMBank
Preferred
No
Name
5, 7-Dihydroxy-2-(3, 4-dihydroxyphenyl)-4-oxo-4H-1-benzopyran-3-ol anion
Role
alias
Source
TCMBank
Preferred
No
Name
5-(3, 5, 7-Trihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenol anion
Role
alias
Source
TCMBank
Preferred
No
Name
5-18-05-00494 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
6151-25-3 (DIHYDRATE)
Role
alias
Source
TCMBank
Preferred
No
Name
7255-55-2 (ZIRCONIUM SALT)
Role
alias
Source
TCMBank
Preferred
No
Name
73123-10-1
Role
alias
Source
TCMBank
Preferred
No
Name
74893-81-5
Role
alias
Source
TCMBank
Preferred
No
Name
A1784/0075599
Role
alias
Source
TCMBank
Preferred
No
Name
A803764
Role
alias
Source
TCMBank
Preferred
No
Name
ACon1_000560
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-26018
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS-000487
Role
alias
Source
TCMBank
Preferred
No
Name
BAS 00649429
Role
alias
Source
TCMBank
Preferred
No
Name
BPBio1_000477
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 0317313
Role
alias
Source
TCMBank
Preferred
No
Name
BSPBio_000433
Role
alias
Source
TCMBank
Preferred
No
Name
BSPBio_001068
Role
alias
Source
TCMBank
Preferred
No
Name
BSPBio_002243
Role
alias
Source
TCMBank
Preferred
No
Name
Bio1_000369
Role
alias
Source
TCMBank
Preferred
No
Name
Bio1_000858
Role
alias
Source
TCMBank
Preferred
No
Name
Bio1_001347
Role
alias
Source
TCMBank
Preferred
No
Name
Bio2_000374
Role
alias
Source
TCMBank
Preferred
No
Name
Bio2_000854
Role
alias
Source
TCMBank
Preferred
No
Name
BiomolKI2_000068
Role
alias
Source
TCMBank
Preferred
No
Name
BiomolKI_000062
Role
alias
Source
TCMBank
Preferred
No
Name
C.I. Natural Yellow 10
Role
alias
Source
TCMBank
Preferred
No
Name
C.I. natural red 1
Role
alias
Source
TCMBank
Preferred
No
Name
C.I. natural yellow 10 & 13
Role
alias
Source
TCMBank
Preferred
No
Name
C00389
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 1639
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:16243
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:57694
Role
alias
Source
TCMBank
Preferred
No
Name
CI 75670
Role
alias
Source
TCMBank
Preferred
No
Name
CPD-520
Role
alias
Source
TCMBank
Preferred
No
Name
Cyanidelonon 1522
Role
alias
Source
TCMBank
Preferred
No
Name
DivK1c_000485
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 204-187-1
Role
alias
Source
TCMBank
Preferred
No
Name
EU-0100999
Role
alias
Source
TCMBank
Preferred
No
Name
Flavin meletin
Role
alias
Source
TCMBank
Preferred
No
Name
Flavone, 3, 3', 4', 5, 7-pentahydroxy-
Role
alias
Source
TCMBank
Preferred
No
Name
Flavone, 3, 4', 5, 5', 7-pentahydroxy-
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 3529
Role
alias
Source
TCMBank
Preferred
No
Name
IDI1_000485
Role
alias
Source
TCMBank
Preferred
No
Name
IDI1_002129
Role
alias
Source
TCMBank
Preferred
No
Name
K00029
Role
alias
Source
TCMBank
Preferred
No
Name
KBio1_000485
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_000408
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_000584
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_002976
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_003152
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_005544
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_005720
Role
alias
Source
TCMBank
Preferred
No
Name
KBio3_000775
Role
alias
Source
TCMBank
Preferred
No
Name
KBio3_000776
Role
alias
Source
TCMBank
Preferred
No
Name
KBio3_001463
Role
alias
Source
TCMBank
Preferred
No
Name
KBioGR_000408
Role
alias
Source
TCMBank
Preferred
No
Name
KBioGR_001293
Role
alias
Source
TCMBank
Preferred
No
Name
KBioSS_000408
Role
alias
Source
TCMBank
Preferred
No
Name
KBioSS_000584
Role
alias
Source
TCMBank
Preferred
No
Name
Kvercetin [Czech]
Role
alias
Source
TCMBank
Preferred
No
Name
LNS-5662
Role
alias
Source
TCMBank
Preferred
No
Name
Lopac-Q-0125
Role
alias
Source
TCMBank
Preferred
No
Name
Lopac0_000999
Role
alias
Source
TCMBank
Preferred
No
Name
MEGxp0_000381
Role
alias
Source
TCMBank
Preferred
No
Name
Maybridge1_008992
Role
alias
Source
TCMBank
Preferred
No
Name
MixCom3_000183
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00015870-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00015870-02
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00015870-03
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00025016-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00025016-03
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00025016-05
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00025016-07
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00025016-08
Role
alias
Source
TCMBank
Preferred
No
Name
NCI-C60106
Role
alias
Source
TCMBank
Preferred
No
Name
NCI60_042036
Role
alias
Source
TCMBank
Preferred
No
Name
NCIOpen2_007628
Role
alias
Source
TCMBank
Preferred
No
Name
NCIOpen2_007882
Role
alias
Source
TCMBank
Preferred
No
Name
NChemBio.2007.10-comp11
Role
alias
Source
TCMBank
Preferred
No
Name
NINDS_000485
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 9219
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 9221
Role
alias
Source
TCMBank
Preferred
No
Name
NSC57655 (ALUMINUM SALT)
Role
alias
Source
TCMBank
Preferred
No
Name
NSC58588 (ZIRCONIUM SALT)
Role
alias
Source
TCMBank
Preferred
No
Name
NSC9219 (NEUTRAL)
Role
alias
Source
TCMBank
Preferred
No
Name
Natural Yellow 10
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick0_000507
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick1_000507
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick2_000507
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick3_000507
Role
alias
Source
TCMBank
Preferred
No
Name
QUE
Role
alias
Source
TCMBank
Preferred
No
Name
Quercetin content
Role
alias
Source
TCMBank
Preferred
No
Name
Quertin
Role
alias
Source
TCMBank
Preferred
No
Name
S00057
Role
alias
Source
TCMBank
Preferred
No
Name
SGCUT00001
Role
alias
Source
TCMBank
Preferred
No
Name
SMP1_000252
Role
alias
Source
TCMBank
Preferred
No
Name
SPBio_000217
Role
alias
Source
TCMBank
Preferred
No
Name
SPBio_002354
Role
alias
Source
TCMBank
Preferred
No
Name
SPECTRUM1500672
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum2_000059
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum3_000642
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum4_000807
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum5_001389
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum_000124
Role
alias
Source
TCMBank
Preferred
No
Name
TNP00070
Role
alias
Source
TCMBank
Preferred
No
Name
TNP00089
Role
alias
Source
TCMBank
Preferred
No
Name
Tocris-1125
Role
alias
Source
TCMBank
Preferred
No
Name
UPCMLD-DP081:001
Role
alias
Source
TCMBank
Preferred
No
Name
WLN: T66 BO EVJ CR CQ DQ & DQ GQ IQ
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC03861279
Role
alias
Source
TCMBank
Preferred
No
Name
c0808
Role
alias
Source
TCMBank
Preferred
No
Name
quercetin anion
Role
alias
Source
TCMBank
Preferred
No
Name
quercetin-7-olate
Role
alias
Source
TCMBank
Preferred
No
Name
t-Gelb bzw. grun 1
Role
alias
Source
TCMBank
Preferred
No
Name
to_000078
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
水红花子Fructus Polygoni Orientalis117-39-52-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-oneMeletinQuercetineQuercetolQuercitinQuertineSophoretinXanthaurine8.活血化瘀药(33-33)blood-activating and stasis-resolving medicinal3.活血疗伤药(9-9)blood-activating trauma-curing medicinal白花蛇舌草;益母草;侧柏叶;蒲公英;金荞麦Taraxacum mongolicumOldenlandia diffusa;YI MU CAO;CE BAI YE;Dandelion;Fagopyrum dibotrys2.清热药(64-64)heat-clearing medicinal3.清热解毒药(30-30)heat-clearing and detoxicating medicinal淫羊藿;女贞子Epimedium sagittatumEpimedium Herb;Ligustrum lucidum13.补虚药(60-62)tonifying and replenishing medicinal2.补阳药(22-23)yang-tonifying medicinal旋覆花; 白果; 狭叶香蒲; 集字木; 红花; 大金钱草(金钱草; 伊比利亚栎; 黄芪(膜荚黄芪); 叶下珠; 箭叶淫羊藿; 老鹳草; 三七; 满山红; 黄海棠; 川八角莲; 三七; 漓江前胡; 苦蒿; 阿拉伯胶金合欢; 伊比利亚栎; 遍地金; 漓江前胡; 台湾黄檗; 扁桃; 桑寄生; 有色紫金牛; 旋覆花; 虎杖; 醋柳果; 水木雪莲; 贯叶连翘; 啤酒花菟丝子; 醋柳果; 紫菀; 石韦; 黄海棠;柽柳 地锦草; 仙人掌; 石苇; 罗布麻; 南非菟丝子; 卢氏冬凌草; 秤杆升麻; 元宝草; 苦蒿; 菟丝子; 文冠木; 木贼; 日本鹿蹄草; 蒲黄; 木贼; 近无柄金丝桃; ;云实叶 ;日本黄柏; ;川八角莲 ;十字甲 ;中国旋覆花 ;异株荨麻 ;仙鹤草 ;油柑叶 ;茵陈蒿 ;大菟丝子 ;槐 ;紫菀 ;多穗蓼 ;狼杷草 ;窄叶半枫荷 ;侧柏叶 ;茵陈蒿 ;牻牛儿苗 ;药用蒲公英 ;箭叶淫羊藿 ;红麻 ;桑叶 ;宽叶香蒲 B ;黄花蒿 ;山莴苣 ;窄叶半枫荷 ;入院杜鹃 ;展萼金丝桃 ;老鼠簕 ;猫眼草 ;珍珠梅 ;日本鹿蹄草 ;异株荨麻 ;鱼腥草 ;中亚沙棘 ;猫国度卷 ;虎杖; ;刺五加 ;菟丝子 ;槐角 ;白果叶(银杏叶) ;萹蓄 ;落叶松叶金丝桃 ;繖形科属（繖形科） ;中国旋覆花 ;大金钱草 ;黄蜀葵花 ;鹿衔草 ;狭叶香蒲 ;宽叶香蒲 ;委陵菜 ;鹿衔草 ;洋蒲桃叶 ;白果 ;蜂胶 ;黄花蒿 ;梁山杜鹃 ;北沙参 ;扁桃 ;岭南杜鹃 ;蒲黄 ;红麻 ;南方菟丝子 ;高良姜 ;金丝梅 ;杜仲叶 ;蟋蟀 ;照山白 ;多穗蓼 ;药用蒲公英 ;鱼腥草 ;中国沙棘 ;仙鹤草XUAN FU HUABritish Inula柴胡Bupleurum chinenseRadix Bupleuri1.解表药(28-28)exterior-releasing medicinal2.发散风热药(12-12)wind-heat dispersing仙鹤草Agrimonia pilosa; 老鹳草; 山楂; 积雪草; 鹤草芽野老鹳草 Geranium carolinianum;Agrimonia pilosa; Herba Geranii; Crataegus pinnatifida; Centella asiatica; Agrimonia pilosa7.止血药(25-26); 15.祛风湿药(23-26); 6.消食药(8-8); 2.清热药(64-64); 18.驱虫药(9-9)hemostatic medicinal; wind-dampness dispelling medicinal; digestant medicinal; heat-clearing medicinal; worm-expelling medicinal3.收敛止血药(9-9); 1.祛风湿散寒药(13-13); 2.清热燥湿药(10-10)astringent hemostatic medicinal; wind-dampness dispelling and cold dispersing medicinal; heat-clearing and dampness-drying medicinal矮地茶;月季花;苦蔘;杜仲;地耳草;荷叶;红景天AI DI CHA;YUE JI HUA;Sophora flavescens;Eucommia ulmoides;hypericum japonicum;Nelumbo nucifera;Rhodiola rosea9.化痰止咳平喘药(34-34);8.活血化瘀药(33-33);2.清热药(64-64);13.补虚药(60-62);4.利水渗湿药(27-27);16.化湿药(9-9);13.补虚药(60-62)cough-suppressing and panting-calming medicinal;blood-activating and stasis-resolving medicinal;heat-clearing medicinal;tonifying and replenishing medicinal;dampness-resolving medicinal;tonifying and replenishing medicinal3.止咳平喘药(11-11);2.活血调经药(11-11);2.清热燥湿药(10-10);2.补阳药(22-23);3.利水退黄药(5-5);1.补气药(15-15)cough-suppressing and panting-calming medicinal117-39-5 (NEUTRAL )2-(3, 4-Dihydroxyphenyl)-3, 5, 7-trihydroxy-4H-1-benzopyran-4-one2-(3, 4-dihydroxyphenyl)-3, 5, 7-trihydroxy-4-chromenone2-(3, 4-dihydroxyphenyl)-3, 5, 7-trihydroxy-4H-chromen-4-one2-(3, 4-dihydroxyphenyl)-3, 5, 7-trihydroxy-chromone2-(3, 4-dihydroxyphenyl)-3, 5, 7-trihydroxychromen-4-one2-(3, 4-dihydroxyphenyl)-3, 5-dihydroxy-4-oxo-4-chromen-7-olate2-(3, 4-dihydroxyphenyl)-5, 7-dihydroxy-4-oxo-1-benzopyran-3-olate2-[3, 4-bis(oxidanyl)phenyl]-5, 7-bis(oxidanyl)-4-oxidanylidene-chromen-3-olate3', 4', 5, 7-Tetrahydroxyflavan-3-ol3', 4', 5, 7-tetrahydroxyflavon-3-ol3, 3', 4', 5, 6-pentahydroxyflavone3, 3', 4', 5-7-pentahydroxyflavone3, 5, 7, 3', 4'-Pentahydroxyflavone3, 5, 7, 3', 4'-pentahydroflavone3, 5, 7-Trihydroxy-2-(3, 4-dihydroxyphenyl)-4H-chromen-4-on3, 5-Dihydroxy-2-(3, 4-dihydroxyphenyl)-4-oxo-4H-1-benzopyran-7-ol anion3, 7-Dihydroxy-2-(3, 4-dihydroxyphenyl)-4-oxo-4H-1-benzopyran-5-ol anion4-(3, 5, 7-Trihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenol anion4H-1-Benzopyran-4-one, 2-(3, 4-dihydroxyphenyl)-3, 5, 7-trihydroxy-5, 7-Dihydroxy-2-(3, 4-dihydroxyphenyl)-4-oxo-4H-1-benzopyran-3-ol anion5-(3, 5, 7-Trihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenol anion5-18-05-00494 (Beilstein Handbook Reference)6151-25-3 (DIHYDRATE)7255-55-2 (ZIRCONIUM SALT)73123-10-174893-81-5A1784/0075599A803764ACon1_000560AI3-26018AIDS-000487BAS 00649429BPBio1_000477BRN 0317313BSPBio_000433BSPBio_001068BSPBio_002243Bio1_000369Bio1_000858Bio1_001347Bio2_000374Bio2_000854BiomolKI2_000068BiomolKI_000062C.I. Natural Yellow 10C.I. natural red 1C.I. natural yellow 10 & 13C00389CCRIS 1639CHEBI:16243CHEBI:57694CI 75670CPD-520Cyanidelonon 1522DivK1c_000485EINECS 204-187-1EU-0100999Flavin meletinFlavone, 3, 3', 4', 5, 7-pentahydroxy-Flavone, 3, 4', 5, 5', 7-pentahydroxy-HSDB 3529IDI1_000485IDI1_002129K00029KBio1_000485KBio2_000408KBio2_000584KBio2_002976KBio2_003152KBio2_005544KBio2_005720KBio3_000775KBio3_000776KBio3_001463KBioGR_000408KBioGR_001293KBioSS_000408KBioSS_000584Kvercetin [Czech]LNS-5662Lopac-Q-0125Lopac0_000999MEGxp0_000381Maybridge1_008992MixCom3_000183NCGC00015870-01NCGC00015870-02NCGC00015870-03NCGC00025016-01NCGC00025016-03NCGC00025016-05NCGC00025016-07NCGC00025016-08NCI-C60106NCI60_042036NCIOpen2_007628NCIOpen2_007882NChemBio.2007.10-comp11NINDS_000485NSC 9219NSC 9221NSC57655 (ALUMINUM SALT)NSC58588 (ZIRCONIUM SALT)NSC9219 (NEUTRAL)Natural Yellow 10Prestwick0_000507Prestwick1_000507Prestwick2_000507Prestwick3_000507QUEQuercetin contentQuertinS00057SGCUT00001SMP1_000252SPBio_000217SPBio_002354SPECTRUM1500672Spectrum2_000059Spectrum3_000642Spectrum4_000807Spectrum5_001389Spectrum_000124TNP00070TNP00089Tocris-1125UPCMLD-DP081:001WLN: T66 BO EVJ CR CQ DQ & DQ GQ IQZINC03861279c0808quercetin anionquercetin-7-olatet-Gelb bzw. grun 1to_000078
Cross References
Trusted external identifiers retained for this final record.
Cas
117-39-5
Hit
C0352
Herb
HBIN041495HBIN034660HBIN041721
Npass
NPC20791
Tcmid
183023804838454
Tcmsp
MOL000098
Sym Map
SMIT00013
Tcm Id
1425110461104711048110491105011051110521105311485114861148711488114891149011491114921149311494114951206812069120701207112072120731347813479134801348113482134831348413485134861348713488134891349013491134921349313494134951349613497134981349913500135011350213503135041350513506135071350813509135101351113512135131351414131141321413314134141351435314354146621466314794147951479615015151031513715138152891529015291155281552915913159171604916050161121611317038170391737017371173721737317374173751868618744187451874618747187481874918750187511875218753187541875519219206192062020621206222062323653236542365523656236572365823659236602366123662237539871
Pub Chem
5280343
Tcmbank
TCMBANKIN038391TCMBANKIN050567TCMBANKIN052254TCMBANKIN053276TCMBANKIN055793TCMBANKIN057730TCMBANKIN057849TCMBANKIN058127
Etcm Ingredient
Quercetin
Itcmdb Generated
ITX-INGREDIENT-913DE3F603D2ITX-INGREDIENT-F01ED5309872ITX-INGREDIENT-28EBBB68D609ITX-INGREDIENT-2E30ED2AAC44ITX-INGREDIENT-02B9E5529A14ITX-INGREDIENT-03644EE59E66ITX-INGREDIENT-F9A3B8A2EA20ITX-INGREDIENT-BEF7C02E894B
Attributes
Merged source attributes and domain-specific metadata.
Ic
3.40854
Jx
2.07744
Jy
2.18877
Bic
0.6817
Cic
1.05088
Phi
3.37727
Sic
0.76434
Log D
0.295
Sc 0
22
Sc 1
24
Sc 2
36
Type
Blood ingredients,Other ingredients,Metabolic ingredients,QC ingredients
Alog P
1.63
Chi 0
16.0161
Chi 1
10.3799
Chi 2
10.0368
In Ch I
InChI=1S/C15H10O7/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/h1-5,16-19,21H
Mol Wt
302.238
Pmi X
121.091
Cas Id
117-39-5
Energy
33.99
Sc 3 C
10
Sc 3 P
49
Smiles
c1(O[H])c([H])c(C2=C(O[H])C(=O)c3c(c([H])c(O[H])c([H])c3O[H])O2)c([H])c([H])c1O[H]
Zagreb
120
37 Flag
37
Chi 3 C
1.9612
Chi 3 P
8.61163
Chi V 0
10.9393
Chi V 1
6.12314
Chi V 2
4.65044
C Count
15
Kappa 1
16.8438
Kappa 2
6.48148
Kappa 3
3.16534
Mol Log P
1.988000000000001
N Count
0
O Count
7
P Count
0
Sc 3 Ch
0
S Count
0
Version
v1,v2
Alog P Mr
75.428
Chi 3 Ch
0
Dipole X
-1.30456
Dipole Y
3.9172
Dipole Z
0.00051
Iac Mean
1.51643
In Ch Ikey
REFJWTPEDVJJIY-UHFFFAOYSA-N
Is Chiral
0
Ob Score
46.43334812
Suppress
0
Tcm Name
水红花子
Chi V 3 C
0.6309
Chi V 3 P
3.17295
Es Sum D O
12.142
Es Sum T N
0
E Adj Equ
313.093
E Adj Mag
444.235
Hba Count
2
Hbd Count
5
Iac Total
48.5259
Jurs Rasa
0.41005
Jurs Rncg
0.14529
Jurs Rncs
7.50352
Jurs Rpcg
0.21031
Jurs Rpcs
1.62547
Jurs Rpsa
0.58994
Jurs Sasa
455.892
Jurs Tasa
186.941
Jurs Tpsa
268.951
Num Atoms
22
Num Bonds
24
Num Rings
3
Shadow Xy
81.486
Shadow Xz
39.1124
Shadow Yz
22.8972
Shadow Nu
4.09864
Tcm Name2
Taraxacum mongolicum
V Adj Equ
225.723
V Adj Mag
268.078
Mol2 Path
/TCM_database/8.活血化瘀药(33-33)/3.活血疗伤药(9-9)/水红花子/Structure/quercetin.mol2
Reference
2, 4, 468, 475, 550, 557, 594, 604, 615, 658, 660,2080, 2537, 2541, 2556, 3014, 3507, 3764, 3785, 4013, 4097, 4154, 4187,4205, 4244, 4247, 4413, 4415, 4416, 4445, 4456, 4502, 4530, 4689, 4722,4723, 4732, 5247, 5250, 5318, 5371, 5375, 5385, 5493, 5501, 5508, 5519,5529, 5532
Chi V 3 Ch
0
Dipole Mag
4.12872
Es Sum Aa N
0
Es Sum Aa O
0
Es Sum D Nh
0
Es Sum Dd C
0
Es Sum Ds N
0
Es Sum S Oh
47.909
Es Sum Ss O
5.353
Es Sum T Ch
0
Es Sum Ts C
0
Kappa 1 Am
14.5432
Kappa 2 Am
5.1089
Kappa 3 Am
2.37099
Num Hdonors
5
Num Chains
7
Num Rings3
0
Num Rings4
0
Num Rings5
0
Num Rings6
3
Num Rings7
0
Num Rings8
0
Es Count D O
1
Es Count T N
0
Es Sum Aa Ch
5.64
Es Sum Aa Nh
0
Es Sum Aaa C
0
Es Sum Aas C
-1.961
Es Sum Aas N
0
Es Sum D Ch2
0
Es Sum Dds N
0
Es Sum Ds Ch
0
Es Sum Dss C
-1.919
Es Sum S Ch3
0
Es Sum S Nh2
0
Es Sum S Nh3
0
Es Sum Ss Nh
0
Es Sum Sss N
0
Jurs Dpsa 1
-319.672
Jurs Dpsa 3
100.794
Jurs Fnsa 1
0.85059
Jurs Fnsa 2
-2.11185
Jurs Fnsa 3
-0.20466
Jurs Fpsa 1
0.1494
Jurs Fpsa 2
0.15855
Jurs Fpsa 3
0.01643
Jurs Pnsa 1
387.782
Jurs Pnsa 2
-962.772
Jurs Pnsa 3
-93.3017
Jurs Ppsa 1
68.1104
Jurs Ppsa 3
7.49212
Jurs Wnsa 1
176.787
Jurs Wnsa 2
-438.921
Jurs Wnsa 3
-42.5356
Jurs Wpsa 1
31.051
Jurs Wpsa 3
3.4156
Num Pi Bonds
0
Tcm Name En
Fructus Polygoni Orientalis
Level1 Name
8.活血化瘀药(33-33)
Level2 Name
3.活血疗伤药(9-9)
Admet Psa 2 D
130.308
Es Count Aa N
0
Es Count Aa O
0
Es Count D Nh
0
Es Count Dd C
0
Es Count Ds N
0
Es Count S Oh
5
Es Count Ss O
1
Es Count T Ch
0
Es Count Ts C
0
Es Sum Ss Ch2
0
Es Sum Ss Nh2
0
Es Sum Sss Ch
0
Es Sum Sss Nh
0
Es Sum Ssss C
0
Es Sum Ssss N
0
Nplus O Count
7
Num H Donors
5
Admet Alog P98
1.63
Admet Ext Ppb
-5.89414
Drug Likeness
0.434
Es Count Aa Ch
5
Es Count Aa Nh
0
Es Count Aaa C
0
Es Count Aas C
7
Es Count Aas N
0
Es Count D Ch2
0
Es Count Dds N
0
Es Count Ds Ch
0
Es Count Dss C
3
Es Count S Ch3
0
Es Count S Nh2
0
Es Count S Nh3
0
Es Count Ss Nh
0
Es Count Sss N
0
Es Sum Sssss P
0
Num Hacceptors
7
Num Fragments
1
Num Hydrogens
10
Num Ring Bonds
17
Organic Count
22
Rad Of Gyration
3.46252
Shadow Xyfrac
0.68205
Shadow Xzfrac
0.82539
Shadow Yzfrac
0.78552
Strain Energy
34.11
Es Count Ss Ch2
0
Es Count Ss Nh2
0
Es Count Sss Ch
0
Es Count Sss Nh
0
Es Count Ssss C
0
Es Count Ssss N
0
Molecular Mass
302.043
Molecular Sasa
450.43
Num Metal Atoms
0
Num Rings9 Plus
0
Shadow Xlength
13.9362
Shadow Ylength
8.57263
Shadow Zlength
3.4002
Level1 Name En
blood-activating and stasis-resolving medicinal
Level2 Name En
blood-activating trauma-curing medicinal
Admet Bbb Level
4
Isomeric Smiles
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
Molecular Savol
404.148
Molecule Weight
302.25
Num Atom Classes
22
Num Bridge Bonds
0
Num H Acceptors
7
Num Repeat Units
0
Admet Ext Cyp2 D6
-0.816563
Admet Solubility
-2.633
Canonical Smiles
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
Herb Alias Names
117-39-5SophoretinMeletinQuercetineXanthaurineQuercetolQuertineQuercitin2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one
Minimized Energy
-0.12
Molecular Weight
302.040
Molecular Volume
210.94
Molecular Weight
302.236
Molecule Formula
C15H10O7|C21H20O11|C21H20O12
Num Macro Chains
0
Molecular Formula
C15H10O7
Molecular Formula
C15H10O7
Molecular Formula
C15H10O7
Num Rotatable Bonds
1
Num Aromatic Bonds
12
Num Aromatic Rings
2
Num Explicit Atoms
22
Num Explicit Bonds
24
Num Negative Atoms
0
Num Positive Atoms
0
Num Macro Residues
0
Num Ring Assemblies
2
Num Rotatable Bonds
1
Molecular Polar Sasa
227.029
Num Bridge Head Atoms
0
Num Chain Assemblies
7
Num Meso Stereo Atoms
0
Molecular Solubility
-1.619
Admet Ext Hepatotoxic
1.15197
Admet Unknown Alog P98
0
Molecular Surface Area
269.09
Num Explicit Hydrogens
0
Num H Donors Lipinski
5
Num Pseudo Stereo Atoms
0
Admet Absorption Level
1
Admet Solubility Level
3
Admet Ext Ppb#Prediction
0
Num H Acceptors Lipinski
7
Molecular Polar Surface Area
127.45
Admet Ext Cyp2 D6#Prediction
0
Molecular Fractional Polar Sasa
0.504
Admet Ext Ppb Applicability#Md
10.7601
Fda Maximum Daily Dose (Fdamdd)
0.310
Admet Ext Hepatotoxic#Prediction
1
Admet Ext Cyp2 D6 Applicability#Md
8.89275
Admet Ext Ppb Applicability#Mdpvalue
0.61132
Molecular Fractional Polar Surface Area
0.473
Admet Ext Hepatotoxic Applicability#Md
7.57486
Admet Ext Cyp2 D6 Applicability#Mdpvalue
0.431464
Admet Ext Hepatotoxic Applicability#Mdpvalue
0.963553
Quantitative Estimate Of Drug Likeness（Qed）
0.434