Accession Number: pdtdbl00132

Details of the Ligand

Ligand Name : alpha-Copaene
Systematic Names : Copaene; (-)-alpha-Copaene; alpha-Copaene
Molecular Formula : C15H24
Molecular Weight : g/mol
IUPAC Name : (1S,6S,7S,8S)-1,3-dimethyl-8-(propan-2-yl)-tricyclo[,7]dec-3-ene
Canonical SMILES : CC1=CCC2C3C1C2(CCC3C(C)C)C
Ligand Description :

Copaene, or more precisely, α-copaene, is the common (or trivial) chemical name of an oily liquid hydrocarbon that is found in a number of essential oil-producing plants. The name is derived from that of the resin-producing tropical copaiba tree, Copaifera langsdorfii, from which the compound was first isolated in 1914. Its structure, including the chirality, was determined in 1963. The double-bond isomer with an exo-methylene group, β-copaene, was first reported in 1967.

Chemically, the copaenes are tricyclic sesquiterpenes. The molecules are chiral, and the α-copaene enantiomer most commonly found in higher plants exhibits a negative optical rotation of about −6°. The rare (+)-α-copaene is also found in small amounts in some plants. It is of economic significance because it is strongly attracting to an agricultural pest, the Mediterranean fruit fly Ceratitis capitata.

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