chempirical

Scutellarein

C15H10O6CAS 529-53-3286.24 g/mol

Open in Covalent MOL file
OOHOHOHOOH
Phenol

Properties

Molecular formula
C15H10O6
Molar mass
286.24 g/mol
Exact mass
286.0477 Da
Melting point
340 °C (decomposes)
logP
2.28Crippen estimate
Polar surface area
111.1 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
1

Identifiers

CAS number
529-53-3
SMILES
O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12
InChIKey
JVXZRQGOGOXCEC-UHFFFAOYSA-N
InChI
InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H

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Names and synonyms

8 names
  • 4H-1-Benzopyran-4-one, 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-
  • Flavone, 4′,5,6,7-tetrahydroxy-
  • 5,6,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • 4′,5,6,7-Tetrahydroxyflavone
  • 6-Hydroxyapigenin
  • 5,6,7,4′-Tetrahydroxyflavone
  • 5,6,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
  • 2-(4-Hydroxyphenyl)-5,6,7-tris(oxidanyl)chromen-4-one

Work with Scutellarein

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

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

Same formula

Datiscetin480-15-9 Luteolin491-70-3 Kaempferol520-18-3 Fisetin528-48-3

Elsewhere

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