CHEBI:10216 - cedr-8-ene

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ChEBI Name cedr-8-ene ChEBI ID CHEBI:10216 Definition A sesquiterpene that is cedrane which has a double bond between positions 8 and 9. Stars This entity has been manually annotated by the ChEBI Team. Submitter Tereza Calounova Secondary ChEBI IDs CHEBI:173122 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C15H24 Net Charge 0 Average Mass 204.357 Monoisotopic Mass 204.18780 InChI InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15+/m1/s1 InChIKey IRAQOCYXUMOFCW-OSFYFWSMSA-N SMILES [H][C@@]12CC[C@@H](C)[C@]11C[C@@H](C(C)=CC1)C2(C)C Metabolite of Species Details Chrysanthemum balsamita (IPNI:57558-2) Found in flowerhead. See: PubMed Tetraclinis articulata (NCBI:txid13717) See: DOI Juniperus foetidissima (NCBI:txid1719643) See: DOI Ginkgo biloba (NCBI:txid3311) Found in leaf (BTO:0000713). See: Yonghong, Z., Jingmian, W., Desheng, L. and Yinhua, Z. (1999) Chemical studies on volatile constituents of Ginkgo biloba L. leaves. Natural product research and development, 11(2), 62-66. Plectranthus barbatus (NCBI:txid41228) Found in aerial part (BTO:0001658). Species also known as Coleus forskohlii. See: PubMed Cunninghamia lanceolata var. konishii (NCBI:txid66170) See: PubMed Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed Roles Classification Biological Role(s): human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. 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 cedr-8-ene (CHEBI:10216) has parent hydride cedrane (CHEBI:36530) cedr-8-ene (CHEBI:10216) has role human urinary metabolite (CHEBI:84087) cedr-8-ene (CHEBI:10216) has role volatile oil component (CHEBI:27311) cedr-8-ene (CHEBI:10216) is a bridged compound (CHEBI:35990) cedr-8-ene (CHEBI:10216) is a carbotricyclic compound (CHEBI:38032) cedr-8-ene (CHEBI:10216) is a polycyclic olefin (CHEBI:35714) cedr-8-ene (CHEBI:10216) is a sesquiterpene (CHEBI:35189) IUPAC Name cedr-8-ene Synonyms Sources (−)-α-cedrene UniProt (−)-α-cedrene ChEBI (1S,2R,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene IUPAC (3R,3aS,7S,8aS)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulene IUPAC [3R-(3α,3aβ,7β,8aα)]-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene NIST Chemistry WebBook alpha-cederene SUBMITTER alpha-cedrene KEGG COMPOUND α-cedrene NIST Chemistry WebBook levo-α-cedrene ChemIDplus Manual Xrefs Databases 4936353 ChemSpider C00003111 KNApSAcK C09630 KEGG COMPOUND Cedrene Wikipedia CPD-8776 MetaCyc FDB003904 FooDB HMDB0059695 HMDB LMPR0103690006 LIPID MAPS US5302522 Patent View more database links Registry Numbers Types Sources 3196861 Beilstein Registry Number ChemIDplus 469-61-4 CAS Registry Number NIST Chemistry WebBook 469-61-4 CAS Registry Number ChemIDplus Citations Types Sources 16348930 PubMed citation Europe PMC 17268633 PubMed citation Europe PMC 19401923 PubMed citation Europe PMC 19412924 PubMed citation Europe PMC 20034210 PubMed citation Europe PMC 20175559 PubMed citation Europe PMC 20201526 PubMed citation Europe PMC 23074921 PubMed citation Europe PMC 24023812 PubMed citation Europe PMC 31100114 PubMed citation Europe PMC 326500 Chinese Abstracts citation Europe PMC 5029428 PubMed citation Europe PMC IND43669920 Agricola citation Europe PMC IND43694017 Agricola citation Europe PMC PMC6285876 PubMed Central citation Europe PMC Last Modified 06 September 2021