Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3402
- Core Entity Id
- 6967
- Source Entity Count
- 1
- Preferred Name
- 3',4'-dimethoxyflavone
- Name En
- Pubchem Id
- 688674
- Smiles Canonical
- COC1=C(C=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2)OC
- Molecular Formula
- C17H14O4
- Molecular Weight
- 282.2950
- Inchikey
- ZGHORMOOTZTQFL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H14O4/c1-19-15-8-7-11(9-17(15)20-2)16-10-13(18)12-5-3-4-6-14(12)21-16/h3-10H,1-2H3
- Isomeric Smiles
- COC1=C(C=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2)OC
- Cas Id
- Ob Score
- Mol Logp
- 3.4772
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7380
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3',4'-dimethoxyflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3',4'-dimethoxyflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3',4'-dimethoxyflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-(3,4-dimethoxyphenyl)-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(3,4-dimethoxyphenyl)-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(3,4-dimethoxyphenyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(3,4-dimethoxyphenyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3',4'-DMF
Role
alias
Source
HERB_v2
Preferred
No
Name
3',4'-DMF
Role
alias
Source
itcmdb_public
Preferred
No
Name
4143-62-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
4143-62-8
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL91153
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL91153
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID50350946
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID50350946
Role
alias
Source
HERB_v2
Preferred
No
Name
KBio2_004087
Role
alias
Source
HERB_v2
Preferred
No
Name
KBio2_004087
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00143009
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00143009
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-(3,4-dimethoxyphenyl)-4H-chromen-4-one2-(3,4-dimethoxyphenyl)chromen-4-one3',4'-DMF4143-62-84H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-CHEMBL91153DTXSID50350946KBio2_004087MFCD00143009
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007433
Npass
NPC77955
Tcmid
6225
Pub Chem
688674
Tcmbank
TCMBANKIN039719
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H14O4/c1-19-15-8-7-11(9-17(15)20-2)16-10-13(18)12-5-3-4-6-14(12)21-16/h3-10H,1-2H3
Mol Wt
282.295
Smiles
COC1=C(C=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2)OC
Mol Log P
3.477200000000002
In Ch Ikey
ZGHORMOOTZTQFL-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/06226.mol2
Reference
5275
Num Hdonors
0
Drug Likeness
0.738
Num Hacceptors
4
Isomeric Smiles
COC1=C(C=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2)OC
Canonical Smiles
COC1=C(C=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2)OC
Herb Alias Names
4143-62-82-(3,4-dimethoxyphenyl)-4H-chromen-4-one2-(3,4-dimethoxyphenyl)chromen-4-oneMFCD001430093',4'-DMFCHEMBL91153DTXSID503509464H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-KBio2_004087
Molecular Weight
282.29 g/mol
Molecular Formula
C17H14O4
Molecular Formula
C17H14O4
Num Rotatable Bonds
3