chempirical

Fisetin

C15H10O6CAS 528-48-3286.24 g/mol

Open in Covalent MOL file
OOHOHOHOHO
Phenol

Properties

Molecular formula
C15H10O6
Molar mass
286.24 g/mol
Exact mass
286.0477 Da
Melting point
330 °C
logP
2.28Crippen estimate
Polar surface area
111.1 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
1

Identifiers

CAS number
528-48-3
SMILES
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)ccc12
InChIKey
XHEFDIBZLJXQHF-UHFFFAOYSA-N
InChI
InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H

Weigh it out

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Names and synonyms

29 names · show all
  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-
  • Flavone, 3,3′,4′,7-tetrahydroxy-
  • 2-(3,4-Dihydroxyphenyl)-3,7-dihydroxy-4H-1-benzopyran-4-one
  • C.I. 75620
  • Bois Bleu de Honqrie
  • C.I. Natural brown 1
  • Cotinin
  • 5-Desoxyquercetin
  • Fietin
  • Fisetholz
  • Fustel
  • Fustet
  • Junger fustik
  • Superfustel
  • Superfustel K
  • 3,3′,4′,7-Tetrahydroxyflavone
  • Ungarisches gelbholz
  • Ventin sumach
  • Viset
  • Young fustic
  • Young fustic crystals
  • Zante fustic
  • Fiestin
  • NSC 407010
  • NSC 656275
  • 2-(3,4-Dihydroxyphenyl)-3,7-dihydroxy-4H-benzopyran-4-one
  • Fisitin
  • LDN 0058389
  • 2-(3,4-Dihydroxyphenyl)-3,7-dihydroxychromen-4-one

Work with Fisetin

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

Geraldol21511-25-173 % similar 3,7-Dihydroxyflavone492-00-270 % similar Quercetin117-39-569 % similar Quercetin dihydrate6151-25-365 % similar Quercetagetin90-18-662 % similar 3′,4′,7-Trihydroxyisoflavone485-63-260 % similar Gossypetin489-35-054 % similar Rhamnetin90-19-753 % similar

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

Same formula

Datiscetin480-15-9 Luteolin491-70-3 Kaempferol520-18-3 Scutellarein529-53-3

Elsewhere

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