Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21550
- Core Entity Id
- 27139
- Source Entity Count
- 1
- Preferred Name
- Hmo
- Name En
- Pubchem Id
- 3764
- Smiles Canonical
- COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O
- Molecular Formula
- C16H12O4
- Molecular Weight
- 268.2680
- Inchikey
- LNIQZRIHAMVRJA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H12O4/c1-19-12-6-7-13-15(8-12)20-9-14(16(13)18)10-2-4-11(17)5-3-10/h2-9,17H,1H3
- Isomeric Smiles
- COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O
- Cas Id
- 486-63-5
- Ob Score
- 38.3650
- Mol Logp
- 3.1742
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7750
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
HMO
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Hmo
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Hmo
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Hmo
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-(4-Hydroxyphenyl)-7-methoxy-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(4-Hydroxyphenyl)-7-methoxy-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(4-hydroxyphenyl)-7-methoxy-4-chromenone
Role
alias
Source
TCMBank
Preferred
No
Name
3-(4-hydroxyphenyl)-7-methoxy-chromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
3-(4-hydroxyphenyl)-7-methoxy-chromone
Role
alias
Source
TCMBank
Preferred
No
Name
3-(4-hydroxyphenyl)-7-methoxychromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(4-hydroxyphenyl)-7-methoxychromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
4''-HYDROXY-7-METHOXYISOFLAVONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
4'-HYDROXY-7-METHOXYISOFLAVONE
Role
alias
Source
TCMBank
Preferred
No
Name
4'-HYDROXY-7-METHOXYISOFLAVONE
Role
alias
Source
HERB_v2
Preferred
No
Name
486-63-5
Role
alias
Source
HERB_v2
Preferred
No
Name
486-63-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 3-(4-hydroxyphenyl)-7-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 3-(4-hydroxyphenyl)-7-methoxy-
Role
alias
Source
TCMBank
Preferred
No
Name
4H-1-Benzopyran-4-one, 3-(4-hydroxyphenyl)-7-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-O-methyldaidzein
Role
alias
Source
HERB_v2
Preferred
No
Name
7-O-methyldaidzein
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-methoxy-4'-hydroxyisoflavone
Role
alias
Source
TCMBank
Preferred
No
Name
7-methoxy-4'-hydroxyisoflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
7-methoxy-4'-hydroxyisoflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
C12125
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:29608
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:29608
Role
alias
Source
HERB_v2
Preferred
No
Name
Isoformononetin
Role
alias
Source
TCMBank
Preferred
No
Name
isoformononetin
Role
alias
Source
HERB_v2
Preferred
No
Name
isoformononetin
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3-(4-Hydroxyphenyl)-7-methoxy-4H-chromen-4-one3-(4-hydroxyphenyl)-7-methoxy-4-chromenone3-(4-hydroxyphenyl)-7-methoxy-chromen-4-one3-(4-hydroxyphenyl)-7-methoxy-chromone3-(4-hydroxyphenyl)-7-methoxychromen-4-one4''-HYDROXY-7-METHOXYISOFLAVONE4'-HYDROXY-7-METHOXYISOFLAVONE486-63-54H-1-Benzopyran-4-one, 3-(4-hydroxyphenyl)-7-methoxy-7-O-methyldaidzein7-methoxy-4'-hydroxyisoflavoneC12125CHEBI:29608Isoformononetin
Cross References
Trusted external identifiers retained for this final record.
Cas
486-63-5
Herb
HBIN029445HBIN030742
Npass
NPC181124
Tcmsp
MOL004957
Sym Map
SMIT06788
Tcm Id
3434
Pub Chem
3764
Tcmbank
TCMBANKIN061878
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H12O4/c1-19-12-6-7-13-15(8-12)20-9-14(16(13)18)10-2-4-11(17)5-3-10/h2-9,17H,1H3
Mol Wt
268.268
Cas Id
486-63-5
Smiles
COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O
Mol Log P
3.174200000000002
Version
v1,v2
In Ch Ikey
LNIQZRIHAMVRJA-UHFFFAOYSA-N
Ob Score
38.36538.365423838.365424
Suppress
0
Num Hdonors
1
Drug Likeness
0.775
Num Hacceptors
4
Isomeric Smiles
COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O
Molecule Weight
268.28
Canonical Smiles
COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O
Herb Alias Names
isoformononetin486-63-53-(4-Hydroxyphenyl)-7-methoxy-4H-chromen-4-one4'-HYDROXY-7-METHOXYISOFLAVONE3-(4-hydroxyphenyl)-7-methoxychromen-4-one4''-HYDROXY-7-METHOXYISOFLAVONE7-methoxy-4'-hydroxyisoflavoneCHEBI:296084H-1-Benzopyran-4-one, 3-(4-hydroxyphenyl)-7-methoxy-7-O-methyldaidzein
Molecular Weight
268.26 g/mol
Molecular Formula
C16H12O4
Molecular Formula
C16H12O4
Num Rotatable Bonds
2