chempirical

5-Demethylnobiletin

C20H20O8CAS 2174-59-6388.37 g/mol

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EtherPhenol

Properties

Molecular formula
C20H20O8
Molar mass
388.37 g/mol
Exact mass
388.1158 Da
Melting point
145 °C
logP
3.21Crippen estimate
Polar surface area
96.6 Ų
H-bond donors / acceptors
1 / 8
Rotatable bonds
6

Identifiers

CAS number
2174-59-6
SMILES
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)cc1OC
InChIKey
DOFJNFPSMUCECH-UHFFFAOYSA-N
InChI
InChI=1S/C20H20O8/c1-23-12-7-6-10(8-14(12)24-2)13-9-11(21)15-16(22)18(25-3)20(27-5)19(26-4)17(15)28-13/h6-9,22H,1-5H3

Weigh it out

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

Names and synonyms

10 names
  • 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-
  • Flavone, 5-hydroxy-3′,4′,6,7,8-pentamethoxy-
  • 2-(3,4-Dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-1-benzopyran-4-one
  • 5-O-Demethylnobiletin
  • 5-Hydroxy-6,7,8,3′,4′-pentamethoxyflavone
  • 5-Hydroxy-3′,4′,6,7,8-pentamethoxyflavone
  • 5-O-Desmethylnobiletin
  • 5-Desmethylnobiletin
  • NSC 618927
  • 2-(3,4-Dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxychromen-4-one

Work with 5-Demethylnobiletin

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

Nobiletin478-01-380 % similar Isosinensetin17290-70-971 % similar Eupatilin22368-21-469 % similar Skullcapflavone ii55084-08-765 % similar Jaceosidin18085-97-761 % similar Sinensetin2306-27-661 % similar Eupatorin855-96-960 % similar Tangeretin481-53-858 % similar

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

Same formula

3′-Hydroxy-4′,5,6,7,8-pentamethoxyflavone112448-39-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook