Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3507
- Core Entity Id
- 7083
- Source Entity Count
- 1
- Preferred Name
- 3,5,7,2',6'-pentahydroxy flavonol
- Name En
- Pubchem Id
- 129892149
- Smiles Canonical
- C1=CC(=C(C(=C1)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)(O)O)O
- Molecular Formula
- C15H12O8
- Molecular Weight
- 320.2530
- Inchikey
- KSZVYTDHKGNSJH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H12O8/c16-6-4-9(19)12-10(5-6)23-14(15(21,22)13(12)20)11-7(17)2-1-3-8(11)18/h1-5,14,16-19,21-22H
- Isomeric Smiles
- C1=CC(=C(C(=C1)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)(O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.5063
- Num H Donors
- 6
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4160
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,5,7,2',6'-Pentahydroxy Flavonol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3,5,7,2',6'-pentahydroxy flavonol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3,5,7,2',6'-pentahydroxy flavonol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3,5,7,2',6'-pentahydroxy flavonol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3,5,7,2',6'-pentahydroxyflavonol
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5,7,2',6'-pentahydroxyflavonol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3,5,7,2',6'-pentahydroxyflavonol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007566
Tcmid
31765
Sym Map
SMIT19413
Pub Chem
129892149
Tcmbank
TCMBANKIN004463
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H12O8/c16-6-4-9(19)12-10(5-6)23-14(15(21,22)13(12)20)11-7(17)2-1-3-8(11)18/h1-5,14,16-19,21-22H
Mol Wt
320.2529999999999
Smiles
C1=CC(=C(C(=C1)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)(O)O)O
Mol Log P
0.5063
Version
v1,v2
In Ch Ikey
KSZVYTDHKGNSJH-UHFFFAOYSA-N
Suppress
0
Num Hdonors
6
Drug Likeness
0.416
Num Hacceptors
8
Isomeric Smiles
C1=CC(=C(C(=C1)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)(O)O)O
Canonical Smiles
C1=CC(=C(C(=C1)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)(O)O)O
Herb Alias Names
3,5,7,2',6'-pentahydroxyflavonol
Molecular Weight
320.25 g/mol
Molecular Formula
C15H12O8
Molecular Formula
C15H12O8
Num Rotatable Bonds
1