Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14350
- Core Entity Id
- 19117
- Source Entity Count
- 1
- Preferred Name
- Chrysin-7-glucuronide
- Name En
- Pubchem Id
- 44257628
- Smiles Canonical
- C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O
- Molecular Formula
- C21H18O10
- Molecular Weight
- 430.3650
- Inchikey
- IDRSJGHHZXBATQ-ZAJNMQHRSA-N
- Inchi
- InChI=1S/C21H18O10/c22-11-6-10(29-21-18(26)16(24)17(25)19(31-21)20(27)28)7-14-15(11)12(23)8-13(30-14)9-4-2-1-3-5-9/h1-8,16-19,21-22,24-26H,(H,27,28)/t16-,17-,18?,19?,21+/m0/s1
- Isomeric Smiles
- C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4C([C@H]([C@@H](C(O4)C(=O)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.4366
- Num H Donors
- 5
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.3920
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Chrysin-7-Glucuronide
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Chrysin-7-Glucuronide
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Chrysin-7-glucuronide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Chrysin-7-glucuronide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
chrysin-7-glucuronide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(3S,4S,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(3S,4S,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:179453
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:179453
Role
alias
Source
HERB_v2
Preferred
No
Name
Chrysin 7-glucuronide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chrysin 7-glucuronide
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12110149
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12110149
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3S,4S,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acidCHEBI:179453Chrysin 7-glucuronideLMPK12110149
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN020449
Npass
NPC60669
Tcmid
37687
Sym Map
SMIT22925
Pub Chem
44257628
Tcmbank
TCMBANKIN058320
Itcmdb Generated
ITX-INGREDIENT-DC898A14F95A
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C21H18O10/c22-11-6-10(29-21-18(26)16(24)17(25)19(31-21)20(27)28)7-14-15(11)12(23)8-13(30-14)9-4-2-1-3-5-9/h1-8,16-19,21-22,24-26H,(H,27,28)/t16-,17-,18?,19?,21+/m0/s1
Mol Wt
430.3650000000001
Smiles
C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O
Mol Log P
0.4365999999999997
Version
v2
In Ch Ikey
IDRSJGHHZXBATQ-ZAJNMQHRSA-N
Suppress
0
Num Hdonors
5
Drug Likeness
0.392
Num Hacceptors
9
Isomeric Smiles
C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4C([C@H]([C@@H](C(O4)C(=O)O)O)O)O)O
Canonical Smiles
C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O
Herb Alias Names
Chrysin 7-glucuronideCHEBI:179453LMPK12110149(3S,4S,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid
Molecular Weight
430.4 g/mol
Molecular Formula
C21H18O10
Molecular Formula
C21H18O10
Num Rotatable Bonds
4