chempirical

Glycitein

C16H12O5CAS 40957-83-3284.27 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
178–180 °C
logP
2.88Crippen estimate
Polar surface area
79.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
40957-83-3
SMILES
COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O
InChIKey
DXYUAIFZCFRPTH-UHFFFAOYSA-N
InChI
InChI=1S/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3

Weigh it out

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

Names and synonyms

5 names
  • 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-
  • 7-Hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one
  • Glycetein
  • 7,4′-Dihydroxy-6-methoxyisoflavone
  • Glycitin aglycon

Work with Glycitein

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

6,7,4′-Trihydroxyisoflavone17817-31-173 % similar Formononetin485-72-364 % similar Tectorigenin548-77-662 % similar Prunetin552-59-062 % similar Daidzein486-66-861 % similar 3′,4′,7-Trihydroxyisoflavone485-63-258 % similar Glycitin40246-10-458 % similar 4',7-Dimethoxyisoflavone1157-39-754 % similar

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

Same formula

(-)-Maackiain19908-48-6 (-)-Maackiain2035-15-6 Calycosin20575-57-9 Genkwanin437-64-9 Obtusifolin477-85-0 Oroxylin A480-11-5 Acacetin480-44-4 Biochanin A491-80-5

Elsewhere

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