(-)-beta-elemene (CHEBI:62855)

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ChEBI Name	(−)-β-elemene

ChEBI ID	CHEBI:62855

ChEBI ASCII Name	(-)-beta-elemene

Definition	The (−)-enantiomer of β-elemene that has (1S,2S,4R)-configuration.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C15H24

Net Charge

Average Mass

204.35110

Monoisotopic Mass

204.18780

InChI

InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/s1

InChIKey

OPFTUNCRGUEPRZ-QLFBSQMISA-N

SMILES

CC(=C)[C@@H]1CC[C@@](C)(C=C)[C@@H](C1)C(C)=C

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 beta-elemene )

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. (via beta-elemene )

ChEBI Ontology
Outgoing	(−)-β-elemene (CHEBI:62855) has role antineoplastic agent (CHEBI:35610) (−)-β-elemene (CHEBI:62855) is a β-elemene (CHEBI:62854)

IUPAC Name

(1S,2S,4R)-1-ethenyl-1-methyl-2,4-di(prop-1-en-2-yl)cyclohexane

Synonyms	Sources
(-)-beta-Elemene	ChemIDplus
(1S,2S,4R)-(−)-1-methyl-1-vinyl-2,4-diisopropenylcyclohexane	ChEBI
(1S,2S,4R)-1-methyl-2,4-di(prop-1-en-2-yl)-1-vinylcyclohexane	IUPAC
(1S,2S,4R)-2,4-diisopropenyl-1-methyl-1-vinylcyclohexane	ChemIDplus
(1S,2S,4R)-β-elemene	UniProt
2,4-Diisopropenyl-1-methyl-1-vinylcyclohexane	NIST Chemistry WebBook
beta-Elemen	ChemIDplus
β-elemene	ChEBI
Levo-beta-elemene	ChemIDplus

Last Modified

10 September 2021