CHEBI:5768 - (1E,4E,8E)-α-humulene

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ChEBI Name (1E,4E,8E)-α-humulene
ChEBI ID CHEBI:5768
ChEBI ASCII Name (1E,4E,8E)-alpha-humulene
Definition The (1E,4E,8E)-isomer of α-humulene.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C15H24
Net Charge 0
Average Mass 204.35106
Monoisotopic Mass 204.188
InChI InChI=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+
InChIKey FAMPSKZZVDUYOS-HRGUGZIWSA-N
SMILES C\C1=C/CC(C)(C)\C=C\C\C(C)=C\CC1
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via alpha-humulene )
volatile oil component
Any metabolite that is found naturally as a component of a volatile oil.
(via alpha-humulene )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 Sources
(1E,4E,8E)-2,6,6,9-tetramethyl-1,4,8-cycloundecatriene ChemIDplus
(1E,4E,8E)-α-humulene UniProt
(E,E,E)-2,6,6,9-tetramethyl-1,4,8-cycloundecatriene NIST Chemistry WebBook
α-caryophyllene NIST Chemistry WebBook
α-humulene NIST Chemistry WebBook
Humulene KEGG COMPOUND
Database Links Databases
C00003147 KNApSAcK
C09684 KEGG COMPOUND
HMDB0036467 HMDB
Humulene Wikipedia
LMPR0103110001 LIPID MAPS
View more database links
Registry Numbers Types Sources
1864446 Reaxys Registry Number Reaxys
1864446 Beilstein Registry Number Beilstein
261515 Gmelin Registry Number Gmelin
6753-98-6 CAS Registry Number ChemIDplus
6753-98-6 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
23513740 PubMed citation Europe PMC
23513745 PubMed citation Europe PMC
Last Modified
23 October 2015