(-)-thujopsene (CHEBI:9578)

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ChEBI Name	(−)-thujopsene

ChEBI ID	CHEBI:9578

ChEBI ASCII Name	(-)-thujopsene

Definition	A thujopsene that has (S,S,S)-configuration.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Tereza Calounova

Secondary ChEBI IDs	CHEBI:172928

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Formula

C15H24

Net Charge

Average Mass

204.357

Monoisotopic Mass

204.18780

InChI

InChI=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

InChIKey

WXQGPFZDVCRBME-QEJZJMRPSA-N

SMILES

CC1=CC[C@]2(C)CCCC(C)(C)[C@@]22C[C@@H]12

Metabolite of Species	Details
Vitis vinifera (NCBI:txid29760)	See: DOI
Solanum habrochaites (NCBI:txid62890)	See: PubMed

Roles Classification
Biological Role(s):	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	(−)-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	(+)-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	Sources
(−)-thujopsene	UniProt
(−)-widdrene	ChemIDplus
(1aS,4aS,8aS)-2,4a,8,8-tetramethyl-1H,1aH,4H,4aH,5H,6H,7H,8H-cyclopropa[e]naphthalene	IUPAC
(1S,6S,10S)-2,2,6,9-Tetramethyltricyclo[8.1.0.0^1.6]undec-8-ene	ChEBI
(Z)-thujopsene	SUBMITTER
sesquichamene	ChemIDplus
Thujopsene	KEGG COMPOUND

Last Modified

24 August 2021