chempirical

Genistein

C15H10O5CAS 446-72-0270.24 g/mol

Open in Covalent MOL file
OOHOHOOH
Phenol

Properties

Molecular formula
C15H10O5
Molar mass
270.24 g/mol
Exact mass
270.0528 Da
Melting point
301.5 °C (decomposes)
logP
2.58Crippen estimate
Polar surface area
90.9 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
1

Identifiers

CAS number
446-72-0
SMILES
O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12
InChIKey
TZBJGXHYKVUXJN-UHFFFAOYSA-N
InChI
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H

Weigh it out

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

Names and synonyms

23 names · show all
  • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-
  • Isoflavone, 4′,5,7-trihydroxy-
  • 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • C.I. 75610
  • Genisteol
  • Prunetol
  • Sophoricol
  • 4′,5,7-Trihydroxyisoflavone
  • Genisterin
  • 5,7,4′-Trihydroxyisoflavone
  • NPI 031L
  • Baichanin A
  • SIPI 807-1
  • NSC 36586
  • Bonistein
  • FW 635I-2
  • GeniVida
  • Climagen F
  • 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
  • Genistin aglycone
  • CSU-1999
  • CSU 1999
  • BIO 300

Work with Genistein

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

Biochanin A491-80-575 % similar Prunetin552-59-071 % similar Daidzein486-66-863 % similar Tectorigenin548-77-661 % similar Kaempferol520-18-358 % similar Sophoricoside152-95-457 % similar Genistin529-59-954 % similar Glycitein40957-83-354 % similar

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

Same formula

6,7,4′-Trihydroxyisoflavone17817-31-1 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

PubChem CAS Common Chemistry NIST WebBook Wikipedia