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CHEBI:10221 - α-copaene

ChEBI IDCHEBI:10221
ChEBI Nameα-copaene
Stars
ASCII Namealpha-copaene
DefinitionA sesquiterpene that is tricyclo[4.4.0.02,7]dec-3-ene bearing an isopropyl substituent at position 8 and two methyl substituents at positions 1 and 3 (the 1S,6S,7S,8S-diastereomer).
Last Modified23 October 2015
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILES[H][C@]12CC=C(C)C3[C@@]1([H])[C@H](C(C)C)CC[C@]32C
InChIInChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12-,13-,14?,15-/m0/s1
InChIKeyVLXDPFLIRFYIME-XIQJJJERSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
α-copaene (CHEBI:10221) is a bridged compound (CHEBI:35990)
α-copaene (CHEBI:10221) is a sesquiterpene (CHEBI:35189)
IUPAC Name 
(1S,6S,7S,8S)-1,3-dimethyl-8-(propan-2-yl)-tricyclo[4.4.0.02,7]dec-3-ene
Synonyms  Source
alpha-CopaeneKEGG COMPOUND
CopaeneKEGG COMPOUND
8-Isopropyl-1,3-dimethyltricyclo(4.4.0.02,7)dec-3-eneChemIDplus
(1S,6S,7S,8S)-8-isopropyl-1,3-dimethyltricyclo[4.4.0.02,7]dec-3-eneIUPAC
UniProt Name  Source
α-copaeneUniProt
Manual XrefsDatabases
C09639KEGG COMPOUND
CPD-8234MetaCyc
CopaeneWikipedia
C00003118KNApSAcK
Registry NumbersSources
Reaxys:8910321Reaxys
CAS:3856-25-5KEGG COMPOUND
CAS:3856-25-5ChemIDplus
CAS:3856-25-5NIST Chemistry WebBook