Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 14Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3520
- Core Entity Id
- 7099
- Source Entity Count
- 1
- Preferred Name
- 3,5,7-trihydroxy-2-(3-hydroxyphenyl)chromone
- Name En
- Pubchem Id
- 9860659
- Smiles Canonical
- C1=CC(=CC(=C1)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
- Molecular Formula
- C15H10O6
- Molecular Weight
- 286.2390
- Inchikey
- ABDQTIKKAYGHNV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H10O6/c16-8-3-1-2-7(4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
- Isomeric Smiles
- C1=CC(=CC(=C1)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
- Cas Id
- Ob Score
- 59.7145
- Mol Logp
- 2.2824
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5460
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,5,7-Trihydroxy-2-(3-Hydroxyphenyl)Chromone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3,5,7-Trihydroxy-2-(3-Hydroxyphenyl)Chromone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3,5,7-trihydroxy-2-(3-hydroxyphenyl)chromone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3,5,7-trihydroxy-2-(3-hydroxyphenyl)chromone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3,5,7-trihydroxy-2-(3-hydroxyphenyl)chromone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3,5,7-trihydroxy-2-(3-hydroxyphenyl)chromone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
210560-14-8
Role
alias
Source
HERB_v2
Preferred
No
Name
210560-14-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,3',5,7-Tetrahydroxyflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,3',5,7-Tetrahydroxyflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5,7-trihydroxy-2-(3-hydroxyphenyl)-4-chromenone
Role
alias
Source
TCMBank
Preferred
No
Name
3,5,7-trihydroxy-2-(3-hydroxyphenyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,5,7-trihydroxy-2-(3-hydroxyphenyl)chromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
3,5,7-trihydroxy-2-(3-hydroxyphenyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3-hydroxyphenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3-hydroxyphenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL4639902
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL4639902
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL14764207
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL14764207
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
210560-14-83,3',5,7-Tetrahydroxyflavone3,5,7-trihydroxy-2-(3-hydroxyphenyl)-4-chromenone3,5,7-trihydroxy-2-(3-hydroxyphenyl)chromen-4-one4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3-hydroxyphenyl)-CHEMBL4639902SCHEMBL14764207
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007579
Tcmsp
MOL012800
Sym Map
SMIT13530
Pub Chem
9860659
Tcmbank
TCMBANKIN014988
Etcm Ingredient
3,5,7-trihydroxy-2-(3-hydroxyphenyl)chromone
Itcmdb Generated
ITX-INGREDIENT-4F015835FC30
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H10O6/c16-8-3-1-2-7(4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
Mol Wt
286.239
Mol Log P
2.2824
Version
v1,v2
In Ch Ikey
ABDQTIKKAYGHNV-UHFFFAOYSA-N
Ob Score
59.71452759.7145274759.715
Suppress
0
Num Hdonors
4
Drug Likeness
0.546
Num Hacceptors
6
Isomeric Smiles
C1=CC(=CC(=C1)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
Molecule Weight
286.25
Canonical Smiles
C1=CC(=CC(=C1)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
Herb Alias Names
3,3',5,7-Tetrahydroxyflavone3,5,7-trihydroxy-2-(3-hydroxyphenyl)chromen-4-one210560-14-84H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3-hydroxyphenyl)-CHEMBL4639902SCHEMBL14764207
Molecular Weight
286.050
Molecular Weight
286.25
Molecular Formula
C15H10O6
Molecular Formula
C15H10O6
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.234
Quantitative Estimate Of Drug Likeness（Qed）
0.546