Accession Number: pdtdbl00175

Details of the Ligand

Ligand Name : alpha-Thujene
Systematic Names : (-)-alpha-Thujene; alpha-Thujene; (+)-(1S)-alpha-Thujene; Bicyclo(3.1.0)hex-2-ene, 2-methyl-5-(1-methylethyl)-, (1R)-
Molecular Formula : C10H16
Molecular Weight : g/mol
IUPAC Name : (5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-ene
Canonical SMILES : CC1=CCC2(C1C2)C(C)C
Ligand Description :

Thujene (or α-Thujene) is a natural organic compound classified as a monoterpene. It is found in the essential oils of a variety of plants, and contributes pungency to the flavor of some herbs such as Summer savory.

The term thujene usually refers to α-thujene. A less common chemically related double-bond isomer is known as β-thujene (or 2-thujene). Another double-bond isomer is known as sabinene.
Related Plants :
Black Pepper, Black Seed, Lemon, Long Pepper
Ligand Related Dockings :
NA
Ligand References :
  1. https://en.wikipedia.org/wiki/Thujene
  2. https://pubchem.ncbi.nlm.nih.gov/compound/12444322
  3. https://www.ebi.ac.uk/chebi/chebiOntology.do?chebiId=CHEBI:50033
alpha-Thujene

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