Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2869
- Core Entity Id
- 6379
- Source Entity Count
- 1
- Preferred Name
- (2s)-eriodictyol-7-o-beta-d-glucopyranosiduronicacid
- Name En
- Pubchem Id
- 10412099
- Smiles Canonical
- C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)C(=O)O)O)O)O)C4=CC(=C(C=C4)O)O
- Molecular Formula
- C21H20O12
- Molecular Weight
- 464.3790
- Inchikey
- YSORAXGDTRAEMV-CGXGPNJMSA-N
- Inchi
- InChI=1S/C21H20O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-5,13,16-19,21-24,26-28H,6H2,(H,29,30)/t13-,16-,17-,18+,19-,21+/m0/s1
- Isomeric Smiles
- C1[C@H](OC2=CC(=CC(=C2C1=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C4=CC(=C(C=C4)O)O
- Cas Id
- Ob Score
- 17.8205
- Mol Logp
- -0.2191
- Num H Donors
- 7
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.2940
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2S)-Eriodictyol-7-O--beta-D-glucopyranosiduronic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2S)-Eriodictyol-7-O-Β-D-Glucopyranosiduronicacid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2S)-Eriodictyol-7-O-β-D-glucopyranosiduronic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2s)-eriodictyol-7-o-beta-d-glucopyranosiduronicacid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2s)-eriodictyol-7-o-beta-d-glucopyranosiduronicacid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
eriodictyol-7-O-β-D-glucuronide;Eriodictyol 7-glucuronide;(2s)-eriodictyol-7-o-β-d-glucopyranosiduronicacid;(2r)-eriodictyol-7-o-β-d-glucopyranosiduronicacid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl beta-D-glucopyranosiduronic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl beta-D-glucopyranosiduronic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-eriodictoyl-7-O-beta-D-glucopyranosiduronic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-eriodictoyl-7-O-beta-D-glucopyranosiduronic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S,3S,4S,5R,6S)-6-[(2R)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-keto-chroman-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2S,3S,4S,5R,6S)-6-[(2R)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-chroman-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2S,3S,4S,5R,6S)-6-[(2R)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochroman-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2S,3S,4S,5R,6S)-6-[[(2R)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-chromanyl]oxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2S,3S,4S,5R,6S)-6-[[(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S,3S,4S,5R,6S)-6-[[(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
125535-06-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
125535-06-0
Role
alias
Source
HERB_v2
Preferred
No
Name
133360-47-1
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS040762723
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040762723
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:65859
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:65859
Role
alias
Source
HERB_v2
Preferred
No
Name
DA-73177
Role
alias
Source
itcmdb_public
Preferred
No
Name
DA-73177
Role
alias
Source
HERB_v2
Preferred
No
Name
Eriodictyol 7-O-beta-D-glucuronide
Role
alias
Source
TCMBank
Preferred
No
Name
Eriodictyol 7-O-glucuronide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Eriodictyol 7-O-glucuronide
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-8376
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-8376
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N12025
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N12025
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta-D-Glucopyranosiduronic acid, 2-(3,4-dihydroxyphenyl)-2,4-dihydro-5-hydroxy-4-oxo-2H-1-benzopyran-7-yl, (R)-
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2S)-Eriodictyol-7-O--beta-D-glucopyranosiduronic acid(2S)-Eriodictyol-7-O-Β-D-Glucopyranosiduronicacid(2S)-Eriodictyol-7-O-β-D-glucopyranosiduronic acideriodictyol-7-O-β-D-glucuronide;Eriodictyol 7-glucuronide;(2s)-eriodictyol-7-o-β-d-glucopyranosiduronicacid;(2r)-eriodictyol-7-o-β-d-glucopyranosiduronicacid(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl beta-D-glucopyranosiduronic acid(2S)-eriodictoyl-7-O-beta-D-glucopyranosiduronic acid(2S,3S,4S,5R,6S)-6-[(2R)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-keto-chroman-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid(2S,3S,4S,5R,6S)-6-[(2R)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-chroman-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid(2S,3S,4S,5R,6S)-6-[(2R)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochroman-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid(2S,3S,4S,5R,6S)-6-[[(2R)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-chromanyl]oxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid(2S,3S,4S,5R,6S)-6-[[(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid125535-06-0133360-47-1AKOS040762723CHEBI:65859DA-73177Eriodictyol 7-O-beta-D-glucuronideEriodictyol 7-O-glucuronideFS-8376HY-N12025beta-D-Glucopyranosiduronic acid, 2-(3,4-dihydroxyphenyl)-2,4-dihydro-5-hydroxy-4-oxo-2H-1-benzopyran-7-yl, (R)-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006544HBIN006803HBIN025598
Npass
NPC7778
Tcmid
7283
Sym Map
SMIT15300
Pub Chem
10412099
Tcmbank
TCMBANKIN023085TCMBANKIN058543
Etcm Ingredient
(2S)-Eriodictyol-7-O--beta-D-glucopyranosiduronic acid
Itcmdb Generated
ITX-INGREDIENT-39702A17C612ITX-INGREDIENT-78E26111F080ITX-INGREDIENT-EDF7B50EE5FE
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C21H20O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-5,13,16-19,21-24,26-28H,6H2,(H,29,30)/t13-,16-,17-,18+,19-,21+/m0/s1
Mol Wt
464.3790000000002
Smiles
C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)C(=O)O)O)O)O)C4=CC(=C(C=C4)O)O
Mol Log P
-0.2191
Version
v1,v2
In Ch Ikey
YSORAXGDTRAEMV-CGXGPNJMSA-N
Ob Score
17.820505
Suppress
0
Tcm Name
野菊花
Tcm Name2
YE JU HUA
Mol2 Path
/TCM_database/2007_3d_all/07284.mol2
Reference
4214
Num Hdonors
7
Tcm Name En
Indian Wild Chrysanthemum Flower
Drug Likeness
0.294
Num Hacceptors
11
Isomeric Smiles
C1[C@H](OC2=CC(=CC(=C2C1=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C4=CC(=C(C=C4)O)O
Canonical Smiles
C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)C(=O)O)O)O)O)C4=CC(=C(C=C4)O)O
Herb Alias Names
Eriodictyol 7-O-glucuronide125535-06-0(2S)-eriodictoyl-7-O-beta-D-glucopyranosiduronic acid(2S,3S,4S,5R,6S)-6-[[(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl beta-D-glucopyranosiduronic acidCHEBI:65859HY-N12025AKOS040762723FS-8376DA-73177
Molecular Weight
464.100
Molecular Weight
464.38
Molecule Formula
C21H20O12
Molecular Formula
C21H20O12
Molecular Formula
C21H20O12
Molecular Formula
C21H20O12
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.013
Quantitative Estimate Of Drug Likeness（Qed）
0.294