delta-elemene (CHEBI:132830)

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ChEBI Name	δ-elemene

ChEBI ID	CHEBI:132830

ChEBI ASCII Name	delta-elemene

Definition	A sesquiterpene that is cyclohexene that is substituted at positions 1, 3, 4, and 4 by isopropyl, isopropenyl, methyl, and vinyl groups, respectively (the R,R stereoisomer).

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

Submitter	qingping liu

Supplier Information

Download	Molfile XML SDF

Formula

C15H24

Net Charge

Average Mass

204.352

Monoisotopic Mass

204.18780

InChI

InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,10-11,14H,1,4,8-9H2,2-3,5-6H3/t14-,15+/m1/s1

InChIKey

MXDMETWAEGIFOE-CABCVRRESA-N

SMILES

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

Metabolite of Species	Details
Commiphora holtziana (IPNI:127690-1)	Found in gum resin See: PubMed
Centaurea formanekii Halácsy (IPNI:190516-1)	Found in aerial part (BTO:0001658). See: PubMed
Stachys cretica L. (IPNI:459450-1)	Found in aerial part (BTO:0001658). subsp. smyrnaea Rech. fil. 2.1% of the essential oil. See: PubMed
Vitex megapotamica (NCBI:txid1365883)	Found in leaf (BTO:0000713). Found in the essential oil from the leaves See: PubMed
Murraya exotica (NCBI:txid159059)	Found in leaf (BTO:0000713). See: PubMed
Murraya exotica (NCBI:txid159059)	Found in twig (BTO:0001411). See: PubMed
Canarium tramdenum (NCBI:txid210350)	Found in resin See: PubMed
Alisma orientale (NCBI:txid262913)	Found in tuber (BTO:0001400). 12.4% of the essential oil See: PubMed
Copaifera langsdorffiii (NCBI:txid280048)	Found in fruit (BTO:0000486). See: PubMed
Eremanthus erythropappus (NCBI:txid434655)	Found in branch (BTO:0000148). See: PubMed
Eremanthus erythropappus (NCBI:txid434655)	Found in leaf (BTO:0000713). See: PubMed
Murraya paniculata (NCBI:txid43711)	Found in leaf (BTO:0000713). See: PubMed
Murraya paniculata (NCBI:txid43711)	Found in twig (BTO:0001411). See: PubMed
Solanum pseudocapsicum (NCBI:txid45837)	Found in root (BTO:0001188). See: PubMed
Chamaecyparis lawsoniana (NCBI:txid58030)	Found in stem (BTO:0001300). Found in the essential oil from stem & leaves See: PubMed

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. apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.

ChEBI Ontology
Outgoing	δ-elemene (CHEBI:132830) has role apoptosis inducer (CHEBI:68495) δ-elemene (CHEBI:132830) has role plant metabolite (CHEBI:76924) δ-elemene (CHEBI:132830) is a cyclic olefin (CHEBI:33642) δ-elemene (CHEBI:132830) is a monocyclic hydrocarbon (CHEBI:33664) δ-elemene (CHEBI:132830) is a sesquiterpene (CHEBI:35189)

IUPAC Name

(3R,4R)-1-isopropyl-4-methyl-3-(prop-1-en-2-yl)-4-vinylcyclohexene

Synonyms	Sources
(1R,2R)-δ-elemene	UniProt
(3R,trans)-1-isopropyl-4-methyl-3-(prop-1-en-2-yl)-4-vinylcyclohexene	ChEBI
(3R-trans)-4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-cyclohexene	ChemIDplus
(R,R)-1-isopropyl-4-methyl-3-(prop-1-en-2-yl)-4-vinylcyclohexene	ChEBI

Last Modified

08 September 2022