Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8099
- Core Entity Id
- 12174
- Source Entity Count
- 1
- Preferred Name
- 7,3'-dihydroxy-8,4'-dimethoxyisoflavone
- Name En
- Pubchem Id
- 44257262
- Smiles Canonical
- COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3OC)O)O
- Molecular Formula
- C17H14O6
- Molecular Weight
- 314.2930
- Inchikey
- YYWSNCLFZSMGCM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H14O6/c1-21-14-6-3-9(7-13(14)19)11-8-23-16-10(15(11)20)4-5-12(18)17(16)22-2/h3-8,18-19H,1-2H3
- Isomeric Smiles
- COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3OC)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.8884
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7720
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7,3'-dihydroxy-8,4'-dimethoxyisoflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
7,3'-dihydroxy-8,4'-dimethoxyisoflavone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
7,3'-dihydroxy-8,4'-dimethoxyisoflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7,3'-dihydroxy-8,4'-dimethoxyisoflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3',7-Dihydroxy-4',8-dimethoxyisoflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
3',7-Dihydroxy-4',8-dimethoxyisoflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
3'-Hydroxy-8-O-methylretusin
Role
alias
Source
HERB_v2
Preferred
No
Name
3'-Hydroxy-8-O-methylretusin
Role
alias
Source
itcmdb_public
Preferred
No
Name
53947-99-2
Role
alias
Source
HERB_v2
Preferred
No
Name
53947-99-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
7,3a(2)-Dihydroxy-8,4a(2)-dimethoxyisoflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
7,3a(2)-Dihydroxy-8,4a(2)-dimethoxyisoflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-8-methoxychromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-8-methoxychromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:175021
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:175021
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL465572
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL465572
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID401277850
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID401277850
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12050140
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12050140
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3',7-Dihydroxy-4',8-dimethoxyisoflavone3'-Hydroxy-8-O-methylretusin53947-99-27,3a(2)-Dihydroxy-8,4a(2)-dimethoxyisoflavone7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-8-methoxychromen-4-oneCHEBI:175021CHEMBL465572DTXSID401277850LMPK12050140
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012916
Npass
NPC264289
Tcmid
42250
Pub Chem
44257262
Tcmbank
TCMBANKIN002053
Etcm Ingredient
7,3'-dihydroxy-8,4'-dimethoxyisoflavone
Itcmdb Generated
ITX-INGREDIENT-F31F8CE6F223
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H14O6/c1-21-14-6-3-9(7-13(14)19)11-8-23-16-10(15(11)20)4-5-12(18)17(16)22-2/h3-8,18-19H,1-2H3
Mol Wt
314.293
Smiles
COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3OC)O)O
Mol Log P
2.888400000000003
In Ch Ikey
YYWSNCLFZSMGCM-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.772
Num Hacceptors
6
Isomeric Smiles
COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3OC)O)O
Canonical Smiles
COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3OC)O)O
Herb Alias Names
3'-Hydroxy-8-O-methylretusin53947-99-23',7-Dihydroxy-4',8-dimethoxyisoflavoneCHEMBL465572CHEBI:175021DTXSID401277850LMPK120501407,3a(2)-Dihydroxy-8,4a(2)-dimethoxyisoflavone7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-8-methoxychromen-4-one
Molecular Weight
314.080
Molecular Weight
314.29 g/mol
Molecular Formula
C17H14O6
Molecular Formula
C17H14O6
Molecular Formula
C17H14O6
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.089
Quantitative Estimate Of Drug Likeness（Qed）
0.772