Accession Number: pdtdbl00170

Details of the Ligand

Ligand Name : beta-Caryophyllene
Systematic Names : beta-Caryophyllene; Caryophyllene; L-Caryophyllene; trans-Caryophyllene; (-)-beta-Caryophyllene
Molecular Formula : C15H24
Molecular Weight : g/mol
IUPAC Name : (1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
Canonical SMILES : CC1=CCCC(=C)C2CC(C2CC1)(C)C
Ligand Description :
Caryophyllene, or (−)-β-Caryophyllene, is a natural bicyclic sesquiterpene that is a constituent of many essential oils, especially clove oil, the oil from the stems and flowers of Syzygium aromaticum (cloves), the essential oil of hemp Cannabis sativa, rosemary Rosmarinus oficinalis, and hops. It is usually found as a mixture with isocaryophyllene (the cis double bond isomer) and α-Humulene (obsolete name: α-Caryophyllene), a ring-opened isomer. Caryophyllene is notable for having a cyclobutane ring, a rarity in nature.
Related Plants :
Ligand Related Dockings :
NA
Ligand References :
  1. https://en.wikipedia.org/wiki/Caryophyllene
  2. https://pubchem.ncbi.nlm.nih.gov/compound/beta-caryophyllene
  3. http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:10357
beta-Caryophyllene

Click the image to enlarge