(1E,4E,8E)-alpha-humulene (CHEBI:5768)

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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

Average Mass

204.35106

Monoisotopic Mass

204.18780

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 plant metabolite that is found naturally as a component of a volatile oil. (via alpha-humulene )

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
(E,E,E)-2,6,6,9-tetramethyl-1,4,8-cycloundecatriene	NIST Chemistry WebBook
α-caryophyllene	NIST Chemistry WebBook
α-humulene	UniProt
α-humulene	NIST Chemistry WebBook
Humulene	KEGG COMPOUND

Last Modified

20 September 2021