Description
Xanthatin isolated from the fruits of Xanthium sibiricum. It has antibacterial and antifungal activies against MRSA, and has therapeutic potential against NSCLC.
Synonyms
(3aR,7S,8aS)-7-methyl-3-methylidene-6-[(E)-3-oxobut-1-enyl]-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
IUPAC Name
(3aR,7S,8aS)-7-methyl-3-methylidene-6-[(E)-3-oxobut-1-enyl]-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
Molecular Formula
C15H18O3
Canonical SMILES
CC1CC2C(CC=C1C=CC(=O)C)C(=C)C(=O)O2
InChI
InChI=1S/C15H18O3/c1-9-8-14-13(11(3)15(17)18-14)7-6-12(9)5-4-10(2)16/h4-6,9,13-14H,3,7-8H2,1-2H3/b5-4+/t9-,13+,14-/m0/s1
InChIKey
RBRPTFMVULVGIC-ZTIIIDENSA-N
Application
cytotoxic activity; antibacterial; antifungal;