CHEBI:172935 - bicycloelemene

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ChEBI Name bicycloelemene ChEBI ID CHEBI:172935 Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter Tereza Calounova Supplier Information No supplier information found for this compound. Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C15H24 Net Charge 0 Average Mass 204.357 Monoisotopic Mass 204.18780 InChI InChI=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 InChIKey LKQMMFFQYMYQOJ-QVHKTLOISA-N SMILES [H][C@@]12CC[C@@](C)(C=C)[C@@H](C(C)=C)[C@]1([H])C2(C)C Metabolite of Species Details Lunasia amara (IPNI:137666-3) Found in leaf (BTO:0000713). See: DOI Flourensia campestris (IPNI:208174-1) Found in leaf (BTO:0000713). See: PubMed Rollinia sericea (IPNI:221796-2) Found in leaf (BTO:0000713). See: DOI Nepeta daenensis (IPNI:452372-1) See: DOI Piper retrofractum (IPNI:683079-1) Found in leaf (BTO:0000713). See: PubMed Alphonsea philastreana (IPNI:72006-1) Found in leaf (BTO:0000713). See: PubMed Dasymaschalon glaucum (IPNI:72734-1) Found in leaf (BTO:0000713). See: PubMed Polyalthia harmandii (IPNI:74592-1) See: PubMed Polyalthia jucunda (IPNI:74609-1) See: PubMed Polyalthia thorelii (IPNI:74744-1) See: PubMed Alphonsea gaudichaudiana (IPNI:77070651-1) Found in leaf (BTO:0000713). See: PubMed Clausena engleri (IPNI:772125-1) Found in leaf (BTO:0000713). See: PubMed Melodorum fruticosum (NCBI:txid174966) Found in leaf (BTO:0000713). See: PubMed Annona reticulata (NCBI:txid301862) See: PubMed Roles Classification Biological Role(s): volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 (−)-bicycloelemene ChemIDplus Manual Xrefs Databases C00011971 KNApSAcK FDB017397 FooDB HMDB0038166 HMDB View more database links Registry Numbers Types Sources 32531-56-9 CAS Registry Number ChemIDplus 32531-56-9 CAS Registry Number NIST Chemistry WebBook Citations Last Modified 06 July 2021