chempirical

Galangin 3-methyl ether

C16H12O5CAS 6665-74-3284.27 g/mol

Open in Covalent MOL file
OOOHOHO
EtherPhenol

Properties

Molecular formula
C16H12O5
Molar mass
284.27 g/mol
Exact mass
284.0685 Da
Melting point
299 °C
logP
2.88Crippen estimate
Polar surface area
79.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
2

Identifiers

CAS number
6665-74-3
SMILES
COc1c(-c2ccccc2)oc2cc(O)cc(O)c2c1=O
InChIKey
LYISDADPVOHJBJ-UHFFFAOYSA-N
InChI
InChI=1S/C16H12O5/c1-20-16-14(19)13-11(18)7-10(17)8-12(13)21-15(16)9-5-3-2-4-6-9/h2-8,17-18H,1H3

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Names and synonyms

7 names
  • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-methoxy-2-phenyl-
  • Flavone, 5,7-dihydroxy-3-methoxy-
  • 5,7-Dihydroxy-3-methoxy-2-phenyl-4H-1-benzopyran-4-one
  • 3-O-Methylgalangin
  • 5,7-Dihydroxy-3-methoxyflavone
  • Galangin 3-O-methyl ether
  • 3-Methylgalangin

Work with Galangin 3-methyl ether

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

Quercetin 3,4′-dimethyl ether33429-83-374 % similar Galangin548-83-468 % similar Kaempferide491-54-363 % similar Retusin (flavonol)1245-15-458 % similar Pachypodol33708-72-458 % similar Isorhamnetin480-19-358 % similar Tamarixetin603-61-258 % similar Kaempferol520-18-356 % similar

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

Same formula

(-)-Maackiain2035-15-6 Calycosin20575-57-9 Glycitein40957-83-3 Genkwanin437-64-9 Obtusifolin477-85-0 Oroxylin A480-11-5 Acacetin480-44-4 Biochanin A491-80-5

Elsewhere

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