CHEBI:5993 - Isocaryophyllene

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ChEBI Name Isocaryophyllene ChEBI ID CHEBI:5993 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formulae C15H24 C15H24 Net Charge 0 Average Mass 204.352 Monoisotopic Mass 204.18780 InChI InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,14-/m1/s1 InChIKey NPNUFJAVOOONJE-FLFDDASRSA-N SMILES C\C1=C\CCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1 Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: PubMed ChEBI Ontology Outgoing Isocaryophyllene (CHEBI:5993) is a sesquiterpenoid (CHEBI:26658) Synonyms Sources (1R,4Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene HMDB beta-caryophyllene HMDB Caryophyllene HMDB g-Caryophyllene HMDB Gamma-Caryophyllene HMDB gamma-Caryophyllene HMDB Isocaryophyllene KEGG COMPOUND Manual Xrefs Databases C00012474 KNApSAcK C09691 KEGG COMPOUND HMDB0061779 HMDB View more database links Registry Number Type Source 118-65-0 CAS Registry Number KEGG COMPOUND Citations Types Sources 10909279 PubMed citation Europe PMC 15619577 PubMed citation Europe PMC 15763383 PubMed citation Europe PMC 16973189 PubMed citation Europe PMC 18053325 PubMed citation Europe PMC 18415856 PubMed citation Europe PMC 20668570 PubMed citation Europe PMC 24421258 PubMed citation Europe PMC 8526491 PubMed citation Europe PMC Last Modified 23 October 2015