3′-Hydroxy-4′,5,6,7,8-pentamethoxyflavone

C₂₀H₂₀O₈CAS 112448-39-2388.37 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₀H₂₀O₈
Molar mass: 388.37 g/mol
Exact mass: 388.1158 Da
Melting point: 170–171 °C
logP: 3.21Crippen estimate
Polar surface area: 96.6 Å²
H-bond donors / acceptors: 1 / 8
Rotatable bonds: 6

Identifiers

CAS number

112448-39-2

SMILES

COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1O

InChIKey

XFYYZBJXMSDKCV-UHFFFAOYSA-N

InChI

InChI=1S/C20H20O8/c1-23-13-7-6-10(8-11(13)21)14-9-12(22)15-16(24-2)18(25-3)20(27-5)19(26-4)17(15)28-14/h6-9,21H,1-5H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

4H-1-Benzopyran-4-one, 2-(3-hydroxy-4-methoxyphenyl)-5,6,7,8-tetramethoxy-
2-(3-Hydroxy-4-methoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
3′-Demethylnobiletin
2-(3-Hydroxy-4-methoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one

Work with 3′-Hydroxy-4′,5,6,7,8-pentamethoxyflavone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Nobiletin478-01-378 % similar Eupatorin855-96-967 % similar Tangeretin481-53-866 % similar Diosmetin520-34-363 % similar Isosinensetin17290-70-962 % similar Eupatilin22368-21-458 % similar Wogonin632-85-958 % similar Skullcapflavone ii55084-08-757 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Demethylnobiletin2174-59-6

Elsewhere

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