6,7,3',4'-Tetramethoxyisoflavone
Basic information
- CAS
24126-93-0- Standard SMILES
COc1ccc(-c2coc3cc(OC)c(OC)cc3c2=O)cc1OC- InChIKey
OYSKBZHHLYECLU-UHFFFAOYSA-N- Molecular formula
- C19H18O6
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.11033829
Overview
3-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one has been reported in Ateleia herbert-smithii, Pterodon pubescens, and other organisms with data available.
Names & identifiers
- Preferred name
- 6,7,3',4'-Tetramethoxyisoflavone
- IUPAC
- 3-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one
- English name
- 6,7-Dimethoxy-3-(3,4-dimethoxyphenyl)-4H-1-benzopyran-4-one
- Molecular formula
- C19H18O6
- Molecular weight
- 342.34
Names & synonyms
6,7,3',4'-Tetramethoxyisoflavone24126-93-06,7-dimethoxy-3-(3,4-dimethoxyphenyl)-4h-1-benzopyran-4-oneIsoflavone, 3',4',6,7-tetramethoxy-3-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-oneCHEMBL234932SCHEMBL4844181OYSKBZHHLYECLU-UHFFFAOYSA-NDTXSID7013708954H-1-Benzopyran-4-one, 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3',4',6,7-TetramethoxyisoflavoneLMPK12050117
Show more names
AKOS024285556ST0855083-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one3-(3,4-Dimethoxyphenyl)-6,7-dimethoxy-4H-chromen-4-one #
Database identifiers
- CAS
24126-93-0- PubChem CID
- 631176
- DTXSID
DTXSID701370895- ChEMBL
CHEMBL234932- Nikkaji
- J91.448G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 504
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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