chempirical

Datiscetin

C15H10O6CAS 480-15-9286.24 g/mol

Open in Covalent MOL file
OOHHOOHOOH
Phenol

Properties

Molecular formula
C15H10O6
Molar mass
286.24 g/mol
Exact mass
286.0477 Da
Melting point
276 °C
logP
2.28Crippen estimate
Polar surface area
111.1 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
1

Identifiers

CAS number
480-15-9
SMILES
O=c1c(O)c(-c2ccccc2O)oc2cc(O)cc(O)c12
InChIKey
WCNLFPKXBGWWDS-UHFFFAOYSA-N
InChI
InChI=1S/C15H10O6/c16-7-5-10(18)12-11(6-7)21-15(14(20)13(12)19)8-3-1-2-4-9(8)17/h1-6,16-18,20H

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Names and synonyms

8 names
  • 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(2-hydroxyphenyl)-
  • Flavone, 2′,3,5,7-tetrahydroxy-
  • 3,5,7-Trihydroxy-2-(2-hydroxyphenyl)-4H-1-benzopyran-4-one
  • C.I. 75630
  • Akalbir
  • C.I. Natural yellow 12
  • 2′,3,5,7-Tetrahydroxyflavone
  • 2-(2-Hydroxyphenyl)-3,5,7-tris(oxidanyl)chromen-4-one

Work with Datiscetin

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

Morin480-16-080 % similar Galangin548-83-474 % similar Myricetin529-44-266 % similar Quercetin117-39-565 % similar Quercetin dihydrate6151-25-361 % similar Kaempferide491-54-359 % similar Isorhamnetin480-19-357 % similar Tamarixetin603-61-257 % similar

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

Same formula

Luteolin491-70-3 Kaempferol520-18-3 Fisetin528-48-3 Scutellarein529-53-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook