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CHEBI:132830 - δ-elemene

ChEBI IDCHEBI:132830
ChEBI Nameδ-elemene
Stars
ASCII Namedelta-elemene
DefinitionA 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).
Last Modified8 September 2022
Submitterliuqingping
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILESC=C[C@@]1(C)CCC(C(C)C)=C[C@@H]1C(=C)C
InChIInChI=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
InChIKeyMXDMETWAEGIFOE-CABCVRRESA-N
Species of MetaboliteComponentSourceComments
Alisma orientale (ncbitaxon:262913) tuber (BTO:0001400) PubMed (26666273) 12.4% of the essential oil
Eremanthus erythropappus (ncbitaxon:434655)
leaf (BTO:0000713) PubMed (25970043)
branch (BTO:0000148) PubMed (25970043)
Copaifera langsdorffiii (ncbitaxon:280048) fruit (BTO:0000486) PubMed (25588080)
Canarium tramdenum (ncbitaxon:210350) resin PubMed (24443833)
Murraya paniculata (ncbitaxon:43711)
leaf (BTO:0000713) PubMed (24354205)
twig (BTO:0001411) PubMed (24354205)
Murraya exotica (ncbitaxon:159059)
twig (BTO:0001411) PubMed (24354205)
leaf (BTO:0000713) PubMed (24354205)
Vitex megapotamica (ncbitaxon:1365883) leaf (BTO:0000713) PubMed (22708620) Found in the essential oil from the leaves
Chamaecyparis lawsoniana (ncbitaxon:58030) stem (BTO:0001300) PubMed (23157017) Found in the essential oil from stem & leaves
Centaurea formanekii Halácsy (IPNI:190516-1) aerial part (BTO:0001658) PubMed (22978235)
Stachys cretica L. (IPNI:459450-1) aerial part (BTO:0001658) PubMed (19370886) subsp. smyrnaea Rech. fil. 2.1% of the essential oil.
Commiphora holtziana (IPNI:127690-1) gum resin PubMed (18402993)
Solanum pseudocapsicum (ncbitaxon:45837) root (BTO:0001188) PubMed (17887952)
Roles Classification
Biological Roles:
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 Relation(s)
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  Source
(3R,trans)-1-isopropyl-4-methyl-3-(prop-1-en-2-yl)-4-vinylcyclohexeneChEBI
(R,R)-1-isopropyl-4-methyl-3-(prop-1-en-2-yl)-4-vinylcyclohexeneChEBI
(3R-trans)-4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-cyclohexeneChemIDplus
UniProt Name  Source
(1R,2R)-δ-elemeneUniProt
Registry NumbersSources
Reaxys:9765819Reaxys
CAS:11029-06-4PubChem Compound
CAS:20307-84-0ChemIDplus
Citations