chempirical

Myricetin

C15H10O8CAS 529-44-2318.24 g/mol

Open in Covalent MOL file
OOHOHOHOHOHOOH
Phenol

Properties

Molecular formula
C15H10O8
Molar mass
318.24 g/mol
Exact mass
318.0376 Da
Melting point
357 °C
logP
1.69Crippen estimate
Polar surface area
151.6 Ų
H-bond donors / acceptors
6 / 8
Rotatable bonds
1

Identifiers

CAS number
529-44-2
SMILES
O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12
InChIKey
IKMDFBPHZNJCSN-UHFFFAOYSA-N
InChI
InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H

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Names and synonyms

12 names
  • 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-
  • Flavone, 3,3′,4′,5,5′,7-hexahydroxy-
  • 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one
  • Cannabiscetin
  • 3,5,7,3′,4′,5′-Hexahydroxyflavone
  • Myricetol
  • 3,3′,4′,5,5′,7-Hexahydroxyflavone
  • NSC 407290
  • LDN 0014058
  • NCBI 5281672
  • 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
  • 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one

Work with Myricetin

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

Quercetin117-39-578 % similar Kaempferol520-18-378 % similar Galangin548-83-476 % similar Quercetin dihydrate6151-25-373 % similar Morin480-16-069 % similar Tamarixetin603-61-267 % similar Kaempferide491-54-366 % similar Datiscetin480-15-966 % similar

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

Same formula

Gossypetin489-35-0 Quercetagetin90-18-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia