3,5,8-Trihydroxy-3',4',7-trimethoxyflavone
Basic information
- CAS
89971-05-1- Standard SMILES
COc1ccc(-c2oc3c(O)c(OC)cc(O)c3c(=O)c2O)cc1OC- InChIKey
WQQCLPYPEXSIFI-UHFFFAOYSA-N- Molecular formula
- C18H16O8
- Average molar mass
- 360.3 g/mol
- Monoisotopic mass
- 360.08451746
Overview
3,5,8-Trihydroxy-3',4',7-trimethoxyflavone is a hydroxyflavan.
Names & identifiers
- Preferred name
- 3,5,8-Trihydroxy-3',4',7-trimethoxyflavone
- IUPAC
- 2-(3,4-dimethoxyphenyl)-3,5,8-trihydroxy-7-methoxychromen-4-one
Names & synonyms
3,5,8-Trihydroxy-3',4',7-trimethoxyflavone89971-05-12-(3,4-Dimethoxyphenyl)-3,5,8-trihydroxy-7-methoxy-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3,5,8-trihydroxy-7-methoxy-DTXSID80237958CHEBI:1756152-(3,4-dimethoxyphenyl)-3,5,8-trihydroxy-7-methoxychromen-4-one2-(3,4-dimethoxyphenyl)-3,5,8-trihydroxy-7-methoxy-4H-chromen-4-one
Database identifiers
- CAS
89971-05-1- PubChem CID
- 5488152
- DTXSID
DTXSID80237958- ChEBI
CHEBI:175615
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 561
Experimental & physicochemical properties
Melting Point277 - 278.5 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
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Related reactions
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Compound notes
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