chempirical

Jaceosidin

C17H14O7CAS 18085-97-7330.29 g/mol

Open in Covalent MOL file
OOOHOOHOHO
EtherPhenol

Properties

Molecular formula
C17H14O7
Molar mass
330.29 g/mol
Exact mass
330.0740 Da
Melting point
259–260 °C
logP
2.59Crippen estimate
Polar surface area
109.4 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
18085-97-7
SMILES
COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)ccc1O
InChIKey
GLAAQZFBFGEBPS-UHFFFAOYSA-N
InChI
InChI=1S/C17H14O7/c1-22-13-5-8(3-4-9(13)18)12-6-10(19)15-14(24-12)7-11(20)17(23-2)16(15)21/h3-7,18,20-21H,1-2H3

Weigh it out

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Names and synonyms

10 names
  • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-
  • Flavone, 4′,5,7-trihydroxy-3′,6-dimethoxy-
  • 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one
  • 3′,6-Dimethoxy-4′,5,7-trihydroxyflavone
  • 4′,5,7-Trihydroxy-3′,6-dimethoxyflavone
  • 4′-Demethyleupatilin
  • 5,7,4′-Trihydroxy-6,3′-dimethoxyflavone
  • 6-Methoxyluteolin 3′-methyl ether
  • 6-Hydroxyluteolin 6,3′-dimethyl ether
  • Jaseocidin

Work with Jaceosidin

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

Eupatilin22368-21-489 % similar Nepetin520-11-683 % similar Hispidulin1447-88-778 % similar Pectolinarigenin520-12-778 % similar Oroxylin A480-11-576 % similar Eupatorin855-96-975 % similar Chrysoeriol491-71-471 % similar Mosloflavone740-33-065 % similar

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

Same formula

Quercetin 3,4′-dimethyl ether33429-83-3 Tricin520-32-1 Aurantioobtusin67979-25-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook