chempirical

Baicalein

C15H10O5CAS 491-67-8270.24 g/mol

Open in Covalent MOL file
OOHOHOOH
Phenol

Properties

Molecular formula
C15H10O5
Molar mass
270.24 g/mol
Exact mass
270.0528 Da
Melting point
264.5 °C (decomposes)
logP
2.58Crippen estimate
Polar surface area
90.9 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
1

Identifiers

CAS number
491-67-8
SMILES
O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12
InChIKey
FXNFHKRTJBSTCS-UHFFFAOYSA-N
InChI
InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H

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Names and synonyms

7 names
  • 4H-1-Benzopyran-4-one, 5,6,7-trihydroxy-2-phenyl-
  • Flavone, 5,6,7-trihydroxy-
  • 5,6,7-Trihydroxy-2-phenyl-4H-1-benzopyran-4-one
  • 5,6,7-Trihydroxyflavone
  • Noroxylin
  • NSC 661431
  • Baikalein

Work with Baicalein

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

Scutellarein529-53-378 % similar Oroxylin A480-11-571 % similar Chrysin480-40-067 % similar 5-Hydroxyflavone491-78-166 % similar Techtochrysin520-28-560 % similar 7,8-Dihydroxyflavone38183-03-859 % similar Hispidulin1447-88-756 % similar Pectolinarigenin520-12-756 % similar

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

Same formula

6,7,4′-Trihydroxyisoflavone17817-31-1 Genistein446-72-0 Lucidin478-08-0 Aloe emodin481-72-1 3′,4′,7-Trihydroxyisoflavone485-63-2 Emodin518-82-1 Apigenin520-36-5 Galangin548-83-4

Elsewhere

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