chempirical

3′,4′,7-Trihydroxyisoflavone

C15H10O5CAS 485-63-2270.24 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
245–250 °C
logP
2.58Crippen estimate
Polar surface area
90.9 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
1

Identifiers

CAS number
485-63-2
SMILES
O=c1c(-c2ccc(O)c(O)c2)coc2cc(O)ccc12
InChIKey
DDKGKOOLFLYZDL-UHFFFAOYSA-N
InChI
InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H

Weigh it out

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

Names and synonyms

5 names
  • 4H-1-Benzopyran-4-one, 3-(3,4-dihydroxyphenyl)-7-hydroxy-
  • Isoflavone, 3′,4′,7-trihydroxy-
  • 3-(3,4-Dihydroxyphenyl)-7-hydroxy-4H-1-benzopyran-4-one
  • 3′-Hydroxydaidzein
  • 7,3′,4′-Trihydroxyisoflavone

Work with 3′,4′,7-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

Daidzein486-66-877 % similar Calycosin20575-57-972 % similar 7-Hydroxyisoflavone13057-72-269 % similar Neobavaisoflavone41060-15-564 % similar Formononetin485-72-364 % similar Fisetin528-48-360 % similar Glycitein40957-83-358 % similar 3-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-7-hydroxy-4H-1-benzopyran-4-one53947-92-555 % similar

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

Same formula

6,7,4′-Trihydroxyisoflavone17817-31-1 Genistein446-72-0 Lucidin478-08-0 Aloe emodin481-72-1 Baicalein491-67-8 Emodin518-82-1 Apigenin520-36-5 Galangin548-83-4

Elsewhere

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