chempirical

Pectolinarigenin

C17H14O6CAS 520-12-7314.29 g/mol

Open in Covalent MOL file
OOOHOOHO
EtherPhenol

Properties

Molecular formula
C17H14O6
Molar mass
314.29 g/mol
Exact mass
314.0790 Da
Melting point
221 °C
logP
2.89Crippen estimate
Polar surface area
89.1 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
3

Identifiers

CAS number
520-12-7
SMILES
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1
InChIKey
GPQLHGCIAUEJQK-UHFFFAOYSA-N
InChI
InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)13-7-11(18)15-14(23-13)8-12(19)17(22-2)16(15)20/h3-8,19-20H,1-2H3

Weigh it out

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

Names and synonyms

20 names · show all
  • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-6-methoxy-2-(4-methoxyphenyl)-
  • Flavone, 5,7-dihydroxy-4′,6-dimethoxy-
  • 5,7-Dihydroxy-6-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
  • 5,7-Dihydroxy-6,4′-dimethoxyflavone
  • 5,7-Dihydroxy-4′,6-dimethoxyflavone
  • Pectolinaringenin
  • 6-Methoxy-4′-O-methylapigenin
  • Scutellarein 6,4′-dimethyl ether
  • 4′-O-Methylcapillarisin
  • 6-Methoxyacacetin
  • 6-Methoxyapigenin 4′-methyl ether
  • Hortensin
  • Pectolinariogenin
  • Pectolarigenin
  • Pectolinargenin
  • NSC 106403
  • Scutellarein 4′,6-dimethyl ether
  • Capillarisin 4′-methyl ether
  • 6,4′-Di-O-methylscutellarein
  • Pectolinangenin

Work with Pectolinarigenin

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

Hispidulin1447-88-783 % similar Oroxylin A480-11-581 % similar Nepetin520-11-681 % similar Jaceosidin18085-97-778 % similar Eupatilin22368-21-476 % similar Acacetin480-44-468 % similar Eupatorin855-96-966 % similar Hinokiflavone19202-36-963 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia