CHEBI:62855 - (−)-β-elemene

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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 0
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 )
View more via ChEBI Ontology
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
2,4-Diisopropenyl-1-methyl-1-vinylcyclohexane NIST Chemistry WebBook
beta-Elemen ChemIDplus
β-elemene ChEBI
Levo-beta-elemene ChemIDplus
Manual Xref Database
C17094 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
2207781 Reaxys Registry Number Reaxys
33880-83-0 CAS Registry Number KEGG COMPOUND
515-13-9 CAS Registry Number ChemIDplus
515-13-9 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
12058328 PubMed citation Europe PMC
15868411 PubMed citation Europe PMC
15868412 PubMed citation Europe PMC
19128976 PubMed citation Europe PMC
21246417 PubMed citation Europe PMC
Last Modified
23 October 2015