Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 10Ingredient: 1Target: 6Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31389
- Core Entity Id
- 38076
- Source Entity Count
- 1
- Preferred Name
- Quercetin 3-o-rhamnopyranosyl
- Name En
- Pubchem Id
- 162995356
- Smiles Canonical
- C[C@@H]1O[C@@H](OC[C@@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
- Molecular Formula
- C27H30O16
- Molecular Weight
- 611.0000
- Inchikey
- IKGXIBQEEMLURG-GALJDQSWSA-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
- Cas Id
- Ob Score
- 3.2015
- Mol Logp
- -1.0000
- Num H Donors
- 10
- Num H Acceptors
- 16
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 266.0000
- Molecular Volume
- 369.0000
- Alogp
- -1.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Quercetin 3-O-Rhamnopyranosyl
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Quercetin 3-O-Rhamnopyranosyl
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Quercetin 3-o-rhamnopyranosyl
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Quercetin 3-o-rhamnopyranosyl
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
quercetin 3-O-rhamnopyranosyl
Role
preferred
Source
TCMBank
Preferred
Yes
Name
quercetin 3-O-rhamnopyranosyl
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
乌梅(绿萼梅)
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Prunus mume (Sieb.) Sieb. et Zucc.
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
14.收涩药(17-17)
Role
level1_name
Source
TCMBank
Preferred
No
Name
astringent medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
2.歛肺涩肠(8-8)
Role
level2_name
Source
TCMBank
Preferred
No
Name
lung-intestine astringent medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
乌梅(绿萼梅)Prunus mume (Sieb.) Sieb. et Zucc.14.收涩药(17-17)astringent medicinal2.歛肺涩肠(8-8)lung-intestine astringent medicinal
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN041659
Tcmsp
MOL000108
Sym Map
SMIT02778
Tcmbank
TCMBANKIN047137
Etcm Ingredient
quercetin 3-O-rhamnopyranosyl
Itcmdb Generated
ITX-INGREDIENT-C6CBA6D3A8E1
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Alog P
-1
Smiles
[C@]1([H])(O[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])O[C@](OC([H])([H])[C@]([H])(O[C@](OC2=C(c3c([H])c(O[H])c(O[H])c([H])c3[H])Oc4c(c(O[H])c([H])c(O[H])c4[H])C2=O)([H])[C@@]([H])(O[H])[C@]5([H])O[
H])[C@]5([H])O[H])([H])[C@]1([H])O[H]
37 Flag
37
C Count
27
N Count
0
O Count
16
P Count
0
S Count
0
Version
v1,v2
Ob Score
3.2015333.2015331283.202
Suppress
0
Tcm Name
乌梅(绿萼梅)
Mol2 Path
/TCM_database/14.收涩药(17-17)/2.歛肺涩肠(8-8)/乌梅(绿萼梅)/3D/quercetin 3-O-rhamnopyranosyl.mol2
Tcm Name En
Prunus mume (Sieb.) Sieb. et Zucc.
Level1 Name
14.收涩药(17-17)
Level2 Name
2.歛肺涩肠(8-8)
Num H Donors
10
Level1 Name En
astringent medicinal
Level2 Name En
lung-intestine astringent medicinal
Molecule Weight
610.57
Num H Acceptors
16
Molecular Weight
610.150
Molecular Volume
369
Molecular Weight
611
Molecular Formula
C27H30O16
Molecular Formula
C27H30O16
Num Rotatable Bonds
6
Molecular Polar Surface Area
266
Fda Maximum Daily Dose (Fdamdd)
0.011
Quantitative Estimate Of Drug Likeness（Qed）
0.140