chempirical

3,5,6,7,8,3′,4′-Heptamethoxyflavone

C22H24O9CAS 1178-24-1432.43 g/mol

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Ether

Properties

Molecular formula
C22H24O9
Molar mass
432.43 g/mol
Exact mass
432.1420 Da
Melting point
129–131 °C
logP
3.52Crippen estimate
Polar surface area
94.8 Ų
H-bond donors / acceptors
0 / 9
Rotatable bonds
8

Identifiers

CAS number
1178-24-1
SMILES
COc1ccc(-c2oc3c(OC)c(OC)c(OC)c(OC)c3c(=O)c2OC)cc1OC
InChIKey
SSXJHQZOHUYEGD-UHFFFAOYSA-N
InChI
InChI=1S/C22H24O9/c1-24-12-9-8-11(10-13(12)25-2)16-19(27-4)15(23)14-17(26-3)20(28-5)22(30-7)21(29-6)18(14)31-16/h8-10H,1-7H3

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Names and synonyms

9 names
  • 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3,5,6,7,8-pentamethoxy-
  • Flavone, 3,3′,4′,5,6,7,8-heptamethoxy-
  • 2-(3,4-Dimethoxyphenyl)-3,5,6,7,8-pentamethoxy-4H-1-benzopyran-4-one
  • 3,3′,4′,5,6,7,8-Heptamethoxyflavone
  • 3′,4′,3,5,6,7,8-Heptamethoxyflavone
  • NSC 618928
  • 3-Methoxynobiletin
  • 3,5,6,7,8,3′,4′-Heptamethphoxyflavone
  • 2-(3,4-Dimethoxyphenyl)-3,5,6,7,8-pentamethoxychromen-4-one

Work with 3,5,6,7,8,3′,4′-Heptamethoxyflavone

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

Nobiletin478-01-362 % similar Retusin (flavonol)1245-15-460 % similar 5-Demethylnobiletin2174-59-653 % similar Isosinensetin17290-70-951 % similar Quercetin 3,4′-dimethyl ether33429-83-351 % similar Pachypodol33708-72-451 % similar Casticin479-91-451 % similar Chrysosplenetin603-56-551 % similar

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

Elsewhere

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