3,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
Basic information
- CAS
57396-72-2- Standard SMILES
COc1ccc(-c2oc3cc(O)ccc3c(=O)c2O)cc1O- InChIKey
QVYSSMFEUBQBEU-UHFFFAOYSA-N- Molecular formula
- C16H12O6
- Average molar mass
- 300.26 g/mol
- Monoisotopic mass
- 300.0633881
Overview
3,3',7-Trihydroxy-4'-methoxyflavone is a hydroxyflavan.
Names & identifiers
- Preferred name
- 3,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
- IUPAC
- 3,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
- English name
- 3,3',7-Trihydroxy-4'-methoxyflavone
- Molecular formula
- C16H12O6
- Molecular weight
- 300.26
Names & synonyms
3,3',7-Trihydroxy-4'-methoxyflavone57396-72-23,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-oneG6GM3SVD7YDTXSID0011677463,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-oneRefChem:1066142DTXCID8015991714-O-MethylfisetinFisetin 4'-methyl etherCHEMBL20171173,7,3'-trihydroxy-4'-methoxyflavone
Show more names
4-O-Methylfisetin-d34H-1-Benzopyran-4-one, 3,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-oneSCHEMBL4101098CHEBI:174848QVYSSMFEUBQBEU-UHFFFAOYSA-NHCA39672BDBM50381000
Database identifiers
- CAS
57396-72-2- PubChem CID
- 5378244
- DTXSID
DTXSID001167746- ChEMBL
CHEMBL2017117- ChEBI
CHEBI:174848- UNII
- G6GM3SVD7Y
- Nikkaji
- J94.524B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 473
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Melting Point288 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
Uses4-O-Methylfisetin is a flavonoid that shows inhibitory effects on cAMP phosphodiesterase.
Additional notes
DefinitionChEBI: 3,3',7-Trihydroxy-4'-methoxyflavone is a hydroxyflavan.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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