ITCMDBv1
IngredientID 8107

7,4'-dimethoxy-5-hydroxyisoflavone

C17H14O5

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Herb: 1Ingredient: 1Target: 12Links: 13
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
8107
Core Entity Id
12184
Source Entity Count
1
Preferred Name
7,4'-dimethoxy-5-hydroxyisoflavone
Name En
Pubchem Id
5386259
Smiles Canonical
COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)OC
Molecular Formula
C17H14O5
Molecular Weight
298.2940
Inchikey
DQNLRFRBAWCJHQ-UHFFFAOYSA-N
Inchi
InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-12(21-2)7-14(18)16(15)17(13)19/h3-9,18H,1-2H3
Isomeric Smiles
COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)OC
Cas Id
Ob Score
Mol Logp
3.1828
Num H Donors
1
Num H Acceptors
5
Num Rotatable Bonds
3
Drug Likeness
0.8040
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
7,4'-dimethoxy-5-hydroxyisoflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7,4'-dimethoxy-5-hydroxyisoflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7,4'-dimethoxy-5-hydroxyisoflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
34086-51-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
34086-51-6
Role
alias
Source
HERB_v2
Preferred
No
Name
4',7-dimethoxy-5-hydroxyisoflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
4',7-dimethoxy-5-hydroxyisoflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Hydroxy-4',7-dimethoxyisoflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Hydroxy-4',7-dimethoxyisoflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Hydroxy-7-methoxy-3-(4-methoxyphenyl)-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Hydroxy-7-methoxy-3-(4-methoxyphenyl)-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7-O-Methylbiochanin A
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-O-Methylbiochanin A
Role
alias
Source
HERB_v2
Preferred
No
Name
GENISTEIN-4',7-DIMETHYL ETHER
Role
alias
Source
HERB_v2
Preferred
No
Name
GENISTEIN-4',7-DIMETHYL ETHER
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 604926
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 604926
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

34086-51-64',7-dimethoxy-5-hydroxyisoflavone4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)-5-Hydroxy-4',7-dimethoxyisoflavone5-Hydroxy-7-methoxy-3-(4-methoxyphenyl)-4H-chromen-4-one5-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromen-4-one7-O-Methylbiochanin AGENISTEIN-4',7-DIMETHYL ETHERNSC 604926

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN012931
Npass
NPC116632
Tcmid
6242
Pub Chem
5386259
Tcmbank
TCMBANKIN046911

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-12(21-2)7-14(18)16(15)17(13)19/h3-9,18H,1-2H3
Mol Wt
298.294
Smiles
COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)OC
Mol Log P
3.182800000000001
In Ch Ikey
DQNLRFRBAWCJHQ-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/06243.mol2
Reference
3906
Num Hdonors
1
Drug Likeness
0.804
Num Hacceptors
5
Isomeric Smiles
COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)OC
Canonical Smiles
COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)OC
Herb Alias Names
34086-51-67-O-Methylbiochanin A5-Hydroxy-7-methoxy-3-(4-methoxyphenyl)-4H-chromen-4-one5-Hydroxy-4',7-dimethoxyisoflavoneGENISTEIN-4',7-DIMETHYL ETHER4',7-dimethoxy-5-hydroxyisoflavone5-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromen-4-oneNSC 6049264H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)-
Molecular Weight
298.29 g/mol
Molecular Formula
C17H14O5
Molecular Formula
C17H14O5
Num Rotatable Bonds
3