4'-Hydroxy-5,6,7,8-Tetramethoxyflavone
Basic information
- CAS
36950-98-8- Standard SMILES
COc1c(OC)c(OC)c2c(=O)cc(-c3ccc(O)cc3)oc2c1OC- InChIKey
IECRXMSGDFIOEY-UHFFFAOYSA-N- Molecular formula
- C19H18O7
- Average molar mass
- 358.3 g/mol
- Monoisotopic mass
- 358.10525291
Overview
4'-Hydroxy-5,6,7,8-tetramethoxyflavone is an ether and a member of flavonoids.
Names & identifiers
- Preferred name
- 4'-Hydroxy-5,6,7,8-Tetramethoxyflavone
- IUPAC
- 2-(4-hydroxyphenyl)-5,6,7,8-tetramethoxychromen-4-one
Names & synonyms
4'-Hydroxy-5,6,7,8-tetramethoxyflavone36950-98-85VK8D4E73X2-(4-Hydroxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one2-(4-hydroxyphenyl)-5,6,7,8-tetramethoxychromen-4-oneDTXSID901284107RefChem:25933DTXCID301714588UNII-5VK8D4E73XCHEMBL479077SCHEMBL2622796SCHEMBL30051182
Show more names
CHEBI:175602BDBM50412294LMPK12111455NS001162614a(2)-Hydroxy-5,6,7,8-tetramethoxyflavoneQ272629292-(4-Hydroxy-phenyl)-5,6,7,8-tetramethoxy-chromen-4-one2-(4-hydroxyphenyl)-5,6,7,8-tetramethoxy-chromen-4-one
Database identifiers
- CAS
36950-98-8- PubChem CID
- 3010100
- DTXSID
DTXSID901284107- ChEMBL
CHEMBL479077- ChEBI
CHEBI:175602- UNII
- 5VK8D4E73X
- Nikkaji
- J546.515J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 526
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Melting Point196 - 198 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Metabolism/Metabolites4'-Hydroxy-5,6,7,8-tetramethoxyflavone has known human metabolites that include OROBOL.
Cellular LocationsMembrane
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Related reactions
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Compound notes
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