chempirical

6,7,4′-Trihydroxyisoflavone

C15H10O5CAS 17817-31-1270.24 g/mol

Open in Covalent MOL file
OOHOHOHO
Phenol

Properties

Molecular formula
C15H10O5
Molar mass
270.24 g/mol
Exact mass
270.0528 Da
Melting point
322 °C (decomposes)
logP
2.58Crippen estimate
Polar surface area
90.9 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
1

Identifiers

CAS number
17817-31-1
SMILES
O=c1c(-c2ccc(O)cc2)coc2cc(O)c(O)cc12
InChIKey
GYLUFQJZYAJQDI-UHFFFAOYSA-N
InChI
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,16-18H

Weigh it out

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

Names and synonyms

6 names
  • 4H-1-Benzopyran-4-one, 6,7-dihydroxy-3-(4-hydroxyphenyl)-
  • Isoflavone, 4′,6,7-trihydroxy-
  • 6,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • 4′,6,7-Trihydroxyisoflavone
  • 6-Hydroxydaidzein
  • Desmethylglycitein

Work with 6,7,4′-Trihydroxyisoflavone

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

Daidzein486-66-874 % similar Glycitein40957-83-373 % similar 7-Hydroxyisoflavone13057-72-262 % similar Formononetin485-72-357 % similar Calycosin20575-57-956 % similar Tectorigenin548-77-656 % similar Prunetin552-59-055 % similar Neobavaisoflavone41060-15-553 % similar

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

Same formula

Genistein446-72-0 Lucidin478-08-0 Aloe emodin481-72-1 3′,4′,7-Trihydroxyisoflavone485-63-2 Baicalein491-67-8 Emodin518-82-1 Apigenin520-36-5 Galangin548-83-4

Elsewhere

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