chempirical

Hispidulin

C16H12O6CAS 1447-88-7300.27 g/mol

Open in Covalent MOL file
OHOOOHOHO
EtherPhenol

Properties

Molecular formula
C16H12O6
Molar mass
300.27 g/mol
Exact mass
300.0634 Da
Melting point
291–292 °C
logP
2.59Crippen estimate
Polar surface area
100.1 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
2

Identifiers

CAS number
1447-88-7
SMILES
COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O
InChIKey
IHFBPDAQLQOCBX-UHFFFAOYSA-N
InChI
InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

15 names · show all
  • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-
  • Flavone, 4′,5,7-trihydroxy-6-methoxy-
  • 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one
  • Dinatin
  • 4′,5,7-Trihydroxy-6-methoxyflavone
  • 5,7,4′-Trihydroxy-6-methoxyflavone
  • 6-Methoxyapigenin
  • Salvitin
  • 6-Methoxy-5,7,4′-trihydroxyflavone
  • Scutellarein 6-methyl ether
  • Hispedulin
  • NSC 122415
  • 6-Methylscutellarein
  • Hispiludin
  • 6-O-Methylscutellarein

Work with Hispidulin

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

Pectolinarigenin520-12-783 % similar Oroxylin A480-11-581 % similar Nepetin520-11-681 % similar Jaceosidin18085-97-778 % similar Eupatilin22368-21-476 % similar Scutellarein529-53-372 % similar Hinokiflavone19202-36-969 % similar Genkwanin437-64-968 % similar

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

Same formula

Luteolin 7-methyl ether20243-59-8 Geraldol21511-25-1 Kaempferide491-54-3 Chrysoeriol491-71-4 Diosmetin520-34-3 Acetylsalicylsalicylic acid530-75-6 Tectorigenin548-77-6 Rhamnocitrin569-92-6

Elsewhere

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