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CHEBI:9578 - (−)-thujopsene

ChEBI IDCHEBI:9578
ChEBI Name(−)-thujopsene
Stars
ASCII Name(-)-thujopsene
DefinitionA thujopsene that has (S,S,S)-configuration.
Secondary ChEBI IDCHEBI:172928
Last Modified24 August 2021
SubmitterTereza Calounova
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILESCC1=CC[C@]2(C)CCCC(C)(C)[C@@]23C[C@@H]13
InChIInChI=1S/C15H24/c1-11-6-9-14(4)8-5-7-13(2,3)15(14)10-12(11)15/h6,12H,5,7-10H2,1-4H3/t12-,14-,15-/m0/s1
InChIKeyWXQGPFZDVCRBME-QEJZJMRPSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Solanum habrochaites (ncbitaxon:62890) - PubMed (21818683)
Vitis vinifera (ncbitaxon:29760) - DOI (10.1016/j.chroma.2012.01.002)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(−)-thujopsene (CHEBI:9578) has role plant metabolite (CHEBI:76924)
(−)-thujopsene (CHEBI:9578) is a thujopsene (CHEBI:61736)
(−)-thujopsene (CHEBI:9578) is enantiomer of (+)-thujopsene (CHEBI:61737)
Incoming Relation(s)
(+)-thujopsene (CHEBI:61737) is enantiomer of (−)-thujopsene (CHEBI:9578)
IUPAC Name 
(1aS,4aS,8aS)-2,4a,8,8-tetramethyl-1,1a,4,4a,5,6,7,8-octahydrocyclopropa[d]naphthalene
Synonyms  Source
ThujopseneKEGG COMPOUND
(−)-widdreneChemIDplus
sesquichameneChemIDplus
(Z)-thujopseneSUBMITTER
(1aS,4aS,8aS)-2,4a,8,8-tetramethyl-1H,1aH,4H,4aH,5H,6H,7H,8H-cyclopropa[e]naphthaleneIUPAC
(1S,6S,10S)-2,2,6,9-Tetramethyltricyclo[8.1.0.01.6]undec-8-eneChEBI
UniProt Name  Source
(−)-thujopseneUniProt
Manual XrefsDatabases
C09740KEGG COMPOUND
C00003194KNApSAcK
ThujopseneWikipedia
FDB005932FooDB
390845ChemSpider
Registry NumbersSources
Reaxys:5730323Reaxys
CAS:470-40-6KEGG COMPOUND
CAS:470-40-6ChemIDplus