Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Meta-analysis: 12Target: 12Links: 36
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 22608
- Core Entity Id
- 28315
- Source Entity Count
- 1
- Preferred Name
- Isoflavon
- Name En
- Pubchem Id
- 72304
- Smiles Canonical
- C1=CC=C(C=C1)C2=COC3=CC=CC=C3C2=O
- Molecular Formula
- C15H10O2
- Molecular Weight
- 222.2430
- Inchikey
- GOMNOOKGLZYEJT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H10O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-10H
- Isomeric Smiles
- C1=CC=C(C=C1)C2=COC3=CC=CC=C3C2=O
- Cas Id
- 574-12-9
- Ob Score
- 49.0298
- Mol Logp
- 3.4600
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6310
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Isoflavon
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Isoflavon
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Isoflavon
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Isoflavon
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Isoflavone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Isoflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Isoflavone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Isoflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
isoflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-Phenylchromone
Role
alias
Source
TCMBank
Preferred
No
Name
3-Phenylchromone
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Phenylchromone
Role
alias
Source
HERB_v2
Preferred
No
Name
3-phenyl-4-chromenone
Role
alias
Source
TCMBank
Preferred
No
Name
3-phenyl-4H-1-benzopyran-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-phenyl-4H-1-benzopyran-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3-phenyl-4H-1-benzopyran-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
3-phenyl-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-phenyl-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3-phenyl-4H-chromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
3-phenylchromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
3-phenylchromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-phenylchromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 3-phenyl-
Role
alias
Source
TCMBank
Preferred
No
Name
4H-1-Benzopyran-4-one, 3-phenyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 3-phenyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 3-phenyl- (9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate
Role
alias
Source
TCMBank
Preferred
No
Name
574-12-9
Role
alias
Source
TCMBank
Preferred
No
Name
574-12-9
Role
alias
Source
HERB_v2
Preferred
No
Name
574-12-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
AIDS-002244
Role
alias
Source
TCMBank
Preferred
No
Name
C00799
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:18220
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:74224
Role
alias
Source
TCMBank
Preferred
No
Name
Isoflavon
Role
alias
Source
TCMBank
Preferred
No
Name
Isoflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isoflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
Isoflavone (8CI)
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 135405
Role
alias
Source
TCMBank
Preferred
No
Name
NSC-135405
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-135405
Role
alias
Source
itcmdb_public
Preferred
No
Name
OVO2KUW8H8
Role
alias
Source
HERB_v2
Preferred
No
Name
OVO2KUW8H8
Role
alias
Source
itcmdb_public
Preferred
No
Name
ST5331741
Role
alias
Source
TCMBank
Preferred
No
Name
genistein(1-)
Role
alias
Source
TCMBank
Preferred
No
Name
isoflavon
Role
alias
Source
HERB_v2
Preferred
No
Name
isoflavon
Role
alias
Source
itcmdb_public
Preferred
No
Name
isoflavone
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Isoflavone3-Phenylchromone3-phenyl-4-chromenone3-phenyl-4H-1-benzopyran-4-one3-phenyl-4H-chromen-4-one3-phenylchromen-4-one4H-1-Benzopyran-4-one, 3-phenyl-4H-1-Benzopyran-4-one, 3-phenyl- (9CI)5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate574-12-9AIDS-002244C00799CHEBI:18220CHEBI:74224Isoflavone (8CI)NSC 135405NSC-135405OVO2KUW8H8ST5331741genistein(1-)
Cross References
Trusted external identifiers retained for this final record.
Cas
574-12-9
Herb
HBIN030737HBIN030738
Npass
NPC201284
Tcmid
24167
Tcmsp
MOL011593
Sym Map
SMIT12469SMIT18541
Tcm Id
20212
Pub Chem
72304
Tcmbank
TCMBANKIN058324
Etcm Ingredient
Isoflavone
Itcmdb Generated
ITX-INGREDIENT-532783C1B576ITX-INGREDIENT-D0648AC4C51E
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H10O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-10H
Mol Wt
222.243
Cas Id
574-12-9
Smiles
C1=CC=C(C=C1)C2=COC3=CC=CC=C3C2=O
Mol Log P
3.460000000000003
Version
v1,v2
In Ch Ikey
GOMNOOKGLZYEJT-UHFFFAOYSA-N
Ob Score
49.02978649.0297862649.03
Suppress
0
Num Hdonors
0
Drug Likeness
0.631
Num Hacceptors
2
Isomeric Smiles
C1=CC=C(C=C1)C2=COC3=CC=CC=C3C2=O
Molecule Weight
222.25
Canonical Smiles
C1=CC=C(C=C1)C2=COC3=CC=CC=C3C2=O
Herb Alias Names
Isoflavone574-12-93-phenyl-4H-chromen-4-one3-phenylchromen-4-one4H-1-Benzopyran-4-one, 3-phenyl-3-Phenylchromone3-phenyl-4H-1-benzopyran-4-oneOVO2KUW8H8NSC-135405
Molecular Weight
222.070
Molecular Weight
222.24 g/mol
Molecular Formula
C15H10O2
Molecular Formula
C15H10O2
Molecular Formula
C15H10O2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.042
Quantitative Estimate Of Drug Likeness（Qed）
0.631