EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:140564 - δ-cadinene

ChEBI IDCHEBI:140564
ChEBI Nameδ-cadinene
Stars
ASCII Namedelta-cadinene
DefinitionA member of the cadinene family of sesquiterpenes in which the double bonds are located at the 4-4a and 7-8 positions, and in which the isopropyl group at position 1 is cis to the hydrogen at the adjacent bridgehead carbon (position 8a).
Last Modified23 September 2018
SubmitterAnne Morgat
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILESCC1=CC2C(=C(C)CCC2C(C)C)CC1
InChIInChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3
InChIKeyFUCYIEXQVQJBKY-UHFFFAOYSA-N
Roles Classification
Biological Role:
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
ChEBI Ontology
Outgoing Relation(s)
δ-cadinene (CHEBI:140564) is a cadinene (CHEBI:22976)
δ-cadinene (CHEBI:140564) is a hexahydronaphthalenes (CHEBI:142348)
Incoming Relation(s)
(+)-δ-cadinene (CHEBI:15385) is a δ-cadinene (CHEBI:140564)
(−)-δ-cadinene (CHEBI:63703) is a δ-cadinene (CHEBI:140564)
IUPAC Name 
rel-(1R,8aS)-1-isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene
Synonyms  Source
4,7-dimethyl-1-(propan-2-yl)-1,2,3,5,6,8a-hexahydronaphthaleneSUBMITTER
4,7-dimethyl-1-isopropyl-1,2,3,5,6,8a-hexahydronaphthaleneSUBMITTER
UniProt Name  Source
δ-cadineneUniProt