5,7,3',4',5'-Pentamethoxyflavone

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Basic information

CAS: 53350-26-8
Standard SMILES: COc1cc(OC)c2c(=O)cc(-c3cc(OC)c(OC)c(OC)c3)oc2c1
InChIKey: GIKVSFNAEBQLGB-UHFFFAOYSA-N
Molecular formula: C20H20O7
Average molar mass: 372.4 g/mol
Monoisotopic mass: 372.12090297

Overview

3',4',5',5,7-Pentamethoxyflavone has been reported in Ficus formosana, Cedrela, and other organisms with data available.

Names & identifiers

Preferred name: 5,7,3',4',5'-Pentamethoxyflavone
IUPAC: 5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
English name: 3',4',5',5,7-Pentamethoxyflavone
Molecular formula: C20H20O7
Molecular weight: 372.37

Names & synonyms

3',4',5',5,7-Pentamethoxyflavone5,7,3',4',5'-Pentamethoxyflavone5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-oneDTXSID50333239RefChem:912977DTXCID6028432953350-26-85,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-oneTricetin Pentamethyl Ether3',?4',?5',?5,?7-?PentamethoxyflavoneMFCD000176343',4',5,5',7-Pentamethoxyflavone

Show more names

PROTOPANAXADIOL(P)5'-PentamethoxyflavoneTRICIN 5,7,4'-TRIMETHYL ETHERPENTAMETHOXYFLAVONE, 3',4',5',5,7-

CHEMBL20749015,7-Dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-oneTricetin 5,7,3',4',5'-pentamethyl ether4H-1-Benzopyran-4-one, 5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-3',',',,-entamethoxyflavoneorb1698446orb3139221SCHEMBL1422009

Database identifiers

CAS: 53350-26-8
PubChem CID: 493376
DTXSID

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 72.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 27
Formal charge: 0
Complexity: 534

Experimental & physicochemical properties

LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]

Physicochemical properties

Melting point: 198 · 198-200°C
Boiling point: 554.4 · 554.4±50.0 °C(Predicted)
Density: 1.244 · 1.244±0.06 g/cm3(Predicted)
solubility: Hot Acetone, Warm Ethanol, Methanol
form: Solid
color: Off-White Crystalline
InChI: InChI=1S/C20H20O7/c1-22-12-8-15(23-2)19-13(21)10-14(27-16(19)9-12)11-6-17(24-3)20(26-5)18(7-11)25-4/h6-10H,1-5H3
InChIKey: GIKVSFNAEBQLGB-UHFFFAOYSA-N
SMILES: C1(C2=CC(OC)=C(OC)C(OC)=C2)OC2=CC(OC)=CC(OC)=C2C(=O)C=1
LogP: 3.06 · 3.060 (est)

Chemistry & industry

Applications

UsesInhibits ATPase activity and has chemisensitizing effects

Related reactions

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Compound notes

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