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CHEBI:62855 - (−)-β-elemene

ChEBI IDCHEBI:62855
ChEBI Name(−)-β-elemene
Stars
ASCII Name(-)-beta-elemene
DefinitionThe (−)-enantiomer of β-elemene that has (1S,2S,4R)-configuration.
Last Modified10 September 2021
SubmitterSteve
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILESC=C[C@]1(C)CC[C@@H](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/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/s1
InChIKeyOPFTUNCRGUEPRZ-QLFBSQMISA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
(−)-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  Source
β-elemeneChEBI
(1S,2S,4R)-1-methyl-2,4-di(prop-1-en-2-yl)-1-vinylcyclohexaneIUPAC
(-)-beta-ElemeneChemIDplus
beta-ElemenChemIDplus
Levo-beta-elemeneChemIDplus
(1S,2S,4R)-2,4-diisopropenyl-1-methyl-1-vinylcyclohexaneChemIDplus
UniProt Name  Source
(1S,2S,4R)-β-elemeneUniProt
Manual XrefsDatabases
C17094KEGG COMPOUND
Registry NumbersSources
Reaxys:2207781Reaxys
CAS:515-13-9ChemIDplus
CAS:515-13-9NIST Chemistry WebBook
CAS:33880-83-0KEGG COMPOUND
Citations