EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:49311 - α-humulene

ChEBI IDCHEBI:49311
ChEBI Nameα-humulene
Stars
ASCII Namealpha-humulene
Last Modified19 August 2015
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILES[H]C1=C([H])C(C)(C)CC=C(C)CCC=C(C)C1
InChIInChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3
InChIKeyFAMPSKZZVDUYOS-UHFFFAOYSA-N
Roles Classification
Biological Roles:
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
α-humulene (CHEBI:49311) has role plant metabolite (CHEBI:76924)
α-humulene (CHEBI:49311) has role volatile oil component (CHEBI:27311)
α-humulene (CHEBI:49311) is a humulene (CHEBI:49289)
Incoming Relation(s)
zerumbone (CHEBI:63892) has parent hydride α-humulene (CHEBI:49311)
zerumboneoxide (CHEBI:66502) has parent hydride α-humulene (CHEBI:49311)
(1E,4E,8E)-α-humulene (CHEBI:5768) is a α-humulene (CHEBI:49311)
IUPAC Names 
2,6,6,9-tetramethylcycloundeca-1,4,8-triene
humula-1(11),4,8-triene
Synonym  Source
α-HumulenChEBI