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CHEBI:5768 - (1E,4E,8E)-α-humulene

ChEBI IDCHEBI:5768
ChEBI Name(1E,4E,8E)-α-humulene
Stars
ASCII Name(1E,4E,8E)-alpha-humulene
DefinitionThe (1E,4E,8E)-isomer of α-humulene.
Last Modified20 September 2021
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILESC/C1=C\CC/C(C)=C/CC(C)(C)/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/b11-6+,13-7+,14-10+
InChIKeyFAMPSKZZVDUYOS-HRGUGZIWSA-N
Wikipedia
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
ChEBI Ontology
Outgoing Relation(s)
(1E,4E,8E)-α-humulene (CHEBI:5768) is a α-humulene (CHEBI:49311)
IUPAC Names 
(1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
(1E,4E,8E)-humula-1(11),4,8-triene
Synonyms  Source
HumuleneKEGG COMPOUND
α-caryophylleneNIST Chemistry WebBook
(E,E,E)-2,6,6,9-tetramethyl-1,4,8-cycloundecatrieneNIST Chemistry WebBook
α-humuleneNIST Chemistry WebBook
(1E,4E,8E)-2,6,6,9-tetramethyl-1,4,8-cycloundecatrieneChemIDplus
UniProt Name  Source
α-humuleneUniProt
Manual XrefsDatabases
C09684KEGG COMPOUND
LMPR0103110001LIPID MAPS
HMDB0036467HMDB
HumuleneWikipedia
C00003147KNApSAcK
Registry NumbersSources
Gmelin:261515Gmelin
Reaxys:1864446Reaxys
CAS:6753-98-6KEGG COMPOUND
CAS:6753-98-6NIST Chemistry WebBook
CAS:6753-98-6ChemIDplus
Citations