Accession Number: pdtdbl00184

Details of the Ligand

Ligand Name : cis-Ocimene
Systematic Names : cis-Ocimene; cis-beta-Ocimene; .beta.-cis-Ocimene; (3Z)-3,7-dimethylocta-1,3,6-triene; 1,3,6-Octatriene, 3,7-dimethyl-, (Z)-; (Z)-beta-Ocimene; cis-3,7-Dimethyl-1,3,6-Octatriene
Molecular Formula : C10H16
Molecular Weight : g/mol
IUPAC Name : (3Z)-3,7-dimethylocta-1,3,6-triene
Canonical SMILES : CC(C)=CCC=C(C)C=C
Ligand Description :
cis-Ocimene is found in allspice. Ocimene refers to several isomeric hydrocarbons. The Ocimenes are monoterpenes found within a variety of plants and fruits. α-Ocimene and the two β-Ocimenes differ in the position of the isolated double bond: it is terminal in the alpha isomer. α-Ocimene is 3,7-dimethyl-1,3,7-octatriene. β-Ocimene is 3,7-dimethyl-1,3,6-octatriene. β-Ocimene exists in two stereoisomeric forms, cis and trans, with respect to the central double bond. The ocimenes are often found naturally as mixtures of the various forms. The mixture (as well as the pure compounds) is an oil with a pleasant odor. It is used in perfumery. cis-Ocimene belongs to the family of Hemiterpenes. These are terpenes containing only one isoprene unit (C5-terpene).
Related Plants :
Jamun, Lemon balm
Ligand Related Dockings :
NA
Ligand References :
  1. http://www.hmdb.ca/metabolites/HMDB30088
cis-Ocimene

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