Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 3Ingredient: 1Target: 13Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8125
- Core Entity Id
- 12204
- Source Entity Count
- 1
- Preferred Name
- 7,8,4'-trihydroxyisoflavone
- Name En
- Pubchem Id
- 5466139
- Smiles Canonical
- C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3O)O)O
- Molecular Formula
- C15H10O5
- Molecular Weight
- 270.2400
- Inchikey
- BMZFZTMWBCFKSS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-15-10(13(11)18)5-6-12(17)14(15)19/h1-7,16-17,19H
- Isomeric Smiles
- C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3O)O)O
- Cas Id
- 75187-63-2
- Ob Score
- 20.6680
- Mol Logp
- 2.5768
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5910
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7,8,4'-Trihydroxyisoflavone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
7,8,4'-Trihydroxyisoflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7,8,4'-Trihydroxyisoflavone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
7,8,4'-Trihydroxyisoflavone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
7,8,4'-trihydroxyisoflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7,8,4'-trihydroxyisoflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4',7,8-Trihydroxyisoflavone
Role
alias
Source
TCMBank
Preferred
No
Name
4',7,8-Trihydroxyisoflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
4',7,8-Trihydroxyisoflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 7,8-dihydroxy-3-(4-hydroxyphenyl)-
Role
alias
Source
TCMBank
Preferred
No
Name
7,8-Dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7,8-Dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
7,8-Dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7,8-Dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7,8-Dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7,8-dihydroxy-3-(4-hydroxyphenyl)-4-chromenone
Role
alias
Source
TCMBank
Preferred
No
Name
7,8-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
7,8-dihydroxy-3-(4-hydroxyphenyl)chromone
Role
alias
Source
TCMBank
Preferred
No
Name
75187-63-2
Role
alias
Source
HERB_v2
Preferred
No
Name
75187-63-2
Role
alias
Source
TCMBank
Preferred
No
Name
75187-63-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
7KW44TB2DE
Role
alias
Source
HERB_v2
Preferred
No
Name
7KW44TB2DE
Role
alias
Source
itcmdb_public
Preferred
No
Name
8-Hydroxydaidzein
Role
alias
Source
HERB_v2
Preferred
No
Name
8-Hydroxydaidzein
Role
alias
Source
itcmdb_public
Preferred
No
Name
AIDS147839
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00885567
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00885567
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC678112
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC678112
Role
alias
Source
TCMBank
Preferred
No
Name
NSC678112
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
4',7,8-Trihydroxyisoflavone4H-1-Benzopyran-4-one, 7,8-dihydroxy-3-(4-hydroxyphenyl)-7,8-Dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one7,8-Dihydroxy-3-(4-hydroxyphenyl)chromen-4-one7,8-dihydroxy-3-(4-hydroxyphenyl)-4-chromenone7,8-dihydroxy-3-(4-hydroxyphenyl)chromone75187-63-27KW44TB2DE8-HydroxydaidzeinAIDS147839MFCD00885567NSC678112
Cross References
Trusted external identifiers retained for this final record.
Cas
75187-63-2
Herb
HBIN012955
Npass
NPC125449
Tcmsp
MOL004631
Sym Map
SMIT06518
Pub Chem
5466139
Tcmbank
TCMBANKIN018002
Etcm Ingredient
7,8,4'-Trihydroxyisoflavone
Itcmdb Generated
ITX-INGREDIENT-C2618A9B03B7
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-15-10(13(11)18)5-6-12(17)14(15)19/h1-7,16-17,19H
Mol Wt
270.24
Cas Id
75187-63-2
Smiles
C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3O)O)O
Mol Log P
2.576800000000001
Version
v1,v2
In Ch Ikey
BMZFZTMWBCFKSS-UHFFFAOYSA-N
Ob Score
20.66820.6680736320.668074
Suppress
0
Num Hdonors
3
Drug Likeness
0.591
Num Hacceptors
5
Isomeric Smiles
C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3O)O)O
Molecule Weight
270.25
Canonical Smiles
C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3O)O)O
Herb Alias Names
75187-63-28-Hydroxydaidzein7,8-Dihydroxy-3-(4-hydroxyphenyl)chromen-4-one7,8-Dihydroxy-3-(4-hydroxy-phenyl)-chromen-4-one7,8-Dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one4',7,8-Trihydroxyisoflavone7KW44TB2DEMFCD00885567NSC678112
Molecular Weight
270.050
Molecular Weight
270.24
Molecular Formula
C15H10O5
Molecular Formula
C15H10O5
Molecular Formula
C15H10O5
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.041
Quantitative Estimate Of Drug Likeness（Qed）
0.591