Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 13Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5641
- Core Entity Id
- 9460
- Source Entity Count
- 1
- Preferred Name
- 4',5-dihydroxyflavone
- Name En
- Pubchem Id
- 165521
- Smiles Canonical
- C1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O
- Molecular Formula
- C15H10O4
- Molecular Weight
- 254.2410
- Inchikey
- OKRNDQLCMXUCGG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H10O4/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14/h1-8,16-17H
- Isomeric Smiles
- C1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O
- Cas Id
- 6665-67-4
- Ob Score
- 48.5510
- Mol Logp
- 2.8712
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7000
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4',5-Dihydroxyflavone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
4',5-Dihydroxyflavone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4',5-Dihydroxyflavone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
4',5-Dihydroxyflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4',5-dihydroxyflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4',5-dihydroxyflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4H-1-Benzoicpyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzoicpyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-
Role
alias
Source
TCMBank
Preferred
No
Name
4H-1-Benzoicpyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,4'-Dihydroxyflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
5,4'-Dihydroxyflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-hydroxy-2-(4-hydroxyphenyl)-4-chromenone
Role
alias
Source
TCMBank
Preferred
No
Name
5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-hydroxy-2-(4-hydroxyphenyl)chromone
Role
alias
Source
TCMBank
Preferred
No
Name
6665-67-4
Role
alias
Source
HERB_v2
Preferred
No
Name
6665-67-4
Role
alias
Source
TCMBank
Preferred
No
Name
6665-67-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL484662
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL484662
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID00216821
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID00216821
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCGC00142565-01
Role
alias
Source
TCMBank
Preferred
No
Name
Oprea1_419278
Role
alias
Source
TCMBank
Preferred
No
Name
ST057730
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC00057652
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
4H-1-Benzoicpyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-5,4'-Dihydroxyflavone5-Hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one5-hydroxy-2-(4-hydroxyphenyl)-4-chromenone5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one5-hydroxy-2-(4-hydroxyphenyl)chromone6665-67-4CHEMBL484662DTXSID00216821NCGC00142565-01Oprea1_419278ST057730ZINC00057652
Cross References
Trusted external identifiers retained for this final record.
Cas
6665-67-4
Herb
HBIN010022
Tcmsp
MOL006331
Sym Map
SMIT07973
Pub Chem
165521
Tcmbank
TCMBANKIN014148
Etcm Ingredient
4',5-Dihydroxyflavone
Itcmdb Generated
ITX-INGREDIENT-04497140C41B
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H10O4/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14/h1-8,16-17H
Mol Wt
254.241
Cas Id
6665-67-4
Smiles
C1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O
Mol Log P
2.871200000000002
Version
v1,v2
In Ch Ikey
OKRNDQLCMXUCGG-UHFFFAOYSA-N
Ob Score
48.55148.5512035248.551204
Suppress
0
Num Hdonors
2
Drug Likeness
0.7
Num Hacceptors
4
Isomeric Smiles
C1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O
Molecule Weight
254.25
Canonical Smiles
C1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O
Herb Alias Names
6665-67-45,4'-Dihydroxyflavone5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one5-Hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-oneCHEMBL4846624H-1-Benzoicpyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-DTXSID002168214H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-5,4''-dihydroxyflavone
Molecular Weight
254.060
Molecular Weight
254.24
Molecular Formula
C15H10O4
Molecular Formula
C15H10O4
Molecular Formula
C15H10O4
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.055
Quantitative Estimate Of Drug Likeness（Qed）
0.700