chempirical

Quercetagetin

C15H10O8CAS 90-18-6318.24 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
315–318 °C
logP
1.69Crippen estimate
Polar surface area
151.6 Ų
H-bond donors / acceptors
6 / 8
Rotatable bonds
1

Identifiers

CAS number
90-18-6
SMILES
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c12
InChIKey
ZVOLCUVKHLEPEV-UHFFFAOYSA-N
InChI
InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22H

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Names and synonyms

7 names
  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-
  • Flavone, 3,3′,4′,5,6,7-hexahydroxy-
  • 2-(3,4-Dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-1-benzopyran-4-one
  • 3,3′,4′,5,6,7-Hexahydroxyflavone
  • 3,5,6,7,3′,4′-Hexahydroxyflavone
  • 6-Hydroxyquercetin
  • NSC 115916

Work with Quercetagetin

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

Quercetin117-39-574 % similar Quercetin dihydrate6151-25-369 % similar Rhamnetin90-19-766 % similar Fisetin528-48-362 % similar Kaempferol520-18-358 % similar Quercetagitrin548-75-455 % similar Isorhamnetin480-19-354 % similar Tamarixetin603-61-254 % similar

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

Same formula

Gossypetin489-35-0 Myricetin529-44-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia