CHEBI:132830 - δ-elemene

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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 0
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.
View more via ChEBI Ontology
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
(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
Registry Numbers Types Sources
11029-06-4 CAS Registry Number PubChem
20307-84-0 CAS Registry Number ChemIDplus
9765819 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
15516729 PubMed citation Europe PMC
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Last Modified
07 October 2016