chempirical

Wogonin

C16H12O5CAS 632-85-9284.27 g/mol

Open in Covalent MOL file
OOHOHOO
EtherPhenol

Properties

Molecular formula
C16H12O5
Molar mass
284.27 g/mol
Exact mass
284.0685 Da
Melting point
201 °C
logP
2.88Crippen estimate
Polar surface area
79.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
2

Identifiers

CAS number
632-85-9
SMILES
COc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12
InChIKey
XLTFNNCXVBYBSX-UHFFFAOYSA-N
InChI
InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3

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Names and synonyms

4 names
  • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-methoxy-2-phenyl-
  • Flavone, 5,7-dihydroxy-8-methoxy-
  • 5,7-Dihydroxy-8-methoxy-2-phenyl-4H-1-benzopyran-4-one
  • 5,7-Dihydroxy-8-methoxyflavone

Work with Wogonin

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

Techtochrysin520-28-563 % similar 3′-Hydroxy-4′,5,6,7,8-pentamethoxyflavone112448-39-258 % similar Oroxindin51059-44-057 % similar 5,6,7-Trimethoxy-2-phenyl-4H-1-benzopyran-4-one973-67-156 % similar Tangeretin481-53-855 % similar Hispidulin1447-88-754 % similar Pectolinarigenin520-12-754 % similar Chrysin480-40-053 % 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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