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CHEBI:172935 - bicycloelemene

ChEBI IDCHEBI:172935
ChEBI Namebicycloelemene
Stars
DefinitionA carbobicyclic compound that is 7,7-dimethylbicyclo[4.1.0]heptane substituted by prop-1-en-2-yl, ethenyl and methyl groups at positions 2, 3 and 3, respectively (the 1R,2R,3S,6R-stereoisomer). It is a sesquiterpene isolated from the leaves of several plant species.
Last Modified6 July 2021
SubmitterTereza Calounova
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILES[H][C@@]12CC[C@@](C)(C=C)[C@@H](C(=C)C)[C@]1([H])C2(C)C
InChIInChI=1S/C15H24/c1-7-15(6)9-8-11-13(14(11,4)5)12(15)10(2)3/h7,11-13H,1-2,8-9H2,3-6H3/t11-,12+,13-,15-/m1/s1
InChIKeyLKQMMFFQYMYQOJ-QVHKTLOISA-N
Species of MetaboliteComponentSourceComments
Flourensia campestris (IPNI:208174-1) leaf (BTO:0000713) PubMed (22245633)
Annona reticulata (ncbitaxon:301862) - PubMed (22989376)
Melodorum fruticosum (ncbitaxon:174966) leaf (BTO:0000713) PubMed (23513739)
Alphonsea philastreana (IPNI:72006-1) leaf (BTO:0000713) PubMed (23879263)
Alphonsea gaudichaudiana (IPNI:77070651-1) leaf (BTO:0000713) PubMed (23879263)
Dasymaschalon glaucum (IPNI:72734-1) leaf (BTO:0000713) PubMed (24236527)
Polyalthia harmandii (IPNI:74592-1) - PubMed (24520907)
Polyalthia jucunda (IPNI:74609-1) - PubMed (24520907)
Polyalthia thorelii (IPNI:74744-1) - PubMed (24520907)
Clausena engleri (IPNI:772125-1) leaf (BTO:0000713) PubMed (24617735)
Piper retrofractum (IPNI:683079-1) leaf (BTO:0000713) PubMed (24712088)
Rollinia sericea (IPNI:221796-2) leaf (BTO:0000713) DOI (10.1080/10412905.2010.9700361)
Nepeta daenensis (IPNI:452372-1) - DOI (10.1080/10412905.2005.9698995)
Lunasia amara (IPNI:137666-3) leaf (BTO:0000713) DOI (10.1080/10412905.1997.9699450)
Roles Classification
Biological Role:
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
ChEBI Ontology
Outgoing Relation(s)
bicycloelemene (CHEBI:172935) has role volatile oil component (CHEBI:27311)
bicycloelemene (CHEBI:172935) is a a bicycloelemene (CHEBI:193106)
bicycloelemene (CHEBI:172935) is a carbobicyclic compound (CHEBI:36785)
bicycloelemene (CHEBI:172935) is a sesquiterpene (CHEBI:35189)
IUPAC Name 
(1R,2R,3S,6R)-3-ethenyl-3,7,7-trimethyl-2-(prop-1-en-2-yl)bicyclo[4.1.0]heptane
Synonym  Source
(−)-bicycloelemeneChemIDplus
Manual XrefsDatabases
C00011971KNApSAcK
FDB017397FooDB
HMDB0038166HMDB
Registry NumbersSources
CAS:32531-56-9ChemIDplus
CAS:32531-56-9NIST Chemistry WebBook
Citations