chempirical

Eupatilin

C18H16O7CAS 22368-21-4344.32 g/mol

Open in Covalent MOL file
OOOHOOHOO
EtherPhenol

Properties

Molecular formula
C18H16O7
Molar mass
344.32 g/mol
Exact mass
344.0896 Da
Melting point
236–238 °C
logP
2.90Crippen estimate
Polar surface area
98.4 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
4

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
22368-21-4
SMILES
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1OC
InChIKey
DRRWBCNQOKKKOL-UHFFFAOYSA-N
InChI
InChI=1S/C18H16O7/c1-22-12-5-4-9(6-14(12)23-2)13-7-10(19)16-15(25-13)8-11(20)18(24-3)17(16)21/h4-8,20-21H,1-3H3

Weigh it out

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

Names and synonyms

8 names
  • 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxy-
  • Flavone, 5,7-dihydroxy-3′,4′,6-trimethoxy-
  • 2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one
  • 5,7-Dihydroxy-3′,4′,6-trimethoxyflavone
  • NSC 122413
  • Stillen
  • 5,7-Dihydroxy-6,3′,4′-trimethoxyflavone
  • 2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one

Work with Eupatilin

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

Jaceosidin18085-97-789 % similar Nepetin520-11-681 % similar Hispidulin1447-88-776 % similar Pectolinarigenin520-12-776 % similar Oroxylin A480-11-574 % similar 5-Demethylnobiletin2174-59-669 % similar 5-Hydroxy-3',4',7-trimethoxyflavone29080-58-869 % similar Sinensetin2306-27-668 % similar

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

Same formula

Usnic acid125-46-2 Nevadensin152743-19-6 Pachypodol33708-72-4 Obtusin70588-05-5 (R)-Usnic acid7562-61-0 Eupatorin855-96-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook