chempirical

Isosinensetin

C20H20O7CAS 17290-70-9372.37 g/mol

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Ether

Properties

Molecular formula
C20H20O7
Molar mass
372.37 g/mol
Exact mass
372.1209 Da
Melting point
198–199 °C
logP
3.50Crippen estimate
Polar surface area
76.4 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
6

Identifiers

CAS number
17290-70-9
SMILES
COc1ccc(-c2cc(=O)c3c(OC)cc(OC)c(OC)c3o2)cc1OC
InChIKey
UYCWETIUOAGWIL-UHFFFAOYSA-N
InChI
InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(24-3)10-17(25-4)19(26-5)20(18)27-14/h6-10H,1-5H3

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Names and synonyms

8 names
  • 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxy-
  • Flavone, 3′,4′,5,7,8-pentamethoxy-
  • 2-(3,4-Dimethoxyphenyl)-5,7,8-trimethoxy-4H-1-benzopyran-4-one
  • 3′,4′,5,7,8-Pentamethoxyflavone
  • 5,7,8,3′,4′-Pentamethoxyflavone
  • 6-Demethoxynobiletin
  • 2-(3,4-Dimethoxyphenyl)-5,7,8-trimethoxy-4H-chromen-4-one
  • 2-(3,4-Dimethoxyphenyl)-5,7,8-trimethoxychromen-4-one

Work with Isosinensetin

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

Nobiletin478-01-379 % similar 5-Demethylnobiletin2174-59-671 % similar 5,7,3′,4′-Tetramethoxyflavone855-97-063 % similar 3′-Hydroxy-4′,5,6,7,8-pentamethoxyflavone112448-39-262 % similar Eupatilin22368-21-458 % similar 3′,4′-Dimethoxyflavone4143-62-855 % similar Eupatorin855-96-953 % similar 3,5,6,7,8,3′,4′-Heptamethoxyflavone1178-24-151 % similar

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

Same formula

Sinensetin2306-27-6 Tangeretin481-53-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook