chempirical

Apigenin

C15H10O5CAS 520-36-5270.24 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
347.5 °C
logP
2.58Crippen estimate
Polar surface area
90.9 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
1

Identifiers

CAS number
520-36-5
SMILES
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
InChIKey
KZNIFHPLKGYRTM-UHFFFAOYSA-N
InChI
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H

Weigh it out

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Names and synonyms

18 names · show all
  • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-
  • Flavone, 4′,5,7-trihydroxy-
  • 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • Chamomile
  • C.I. Natural yellow 1
  • 4′,5,7-Trihydroxyflavone
  • Apigenine
  • Apigenol
  • 5,7,4′-Trihydroxyflavone
  • LY 080400
  • UCCF 031
  • Pelargidenon 1449
  • Apegenin
  • Versulin
  • NSC 83244
  • 5,7-Dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
  • 5,7-Dihydroxy-2-p-hydroxyphenyl-4-chromenone
  • ST 056301

Work with Apigenin

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

Chrysin480-40-082 % similar Luteolin491-70-379 % similar Acacetin480-44-474 % similar Amentoflavone1617-53-471 % similar Hinokiflavone19202-36-971 % similar Scutellarein529-53-371 % similar Genkwanin437-64-970 % similar Chrysoeriol491-71-467 % 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 3′,4′,7-Trihydroxyisoflavone485-63-2 Baicalein491-67-8 Emodin518-82-1 Galangin548-83-4

Elsewhere

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