EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:64798 - γ-muurolene

Default Structure
ChEBI IDCHEBI:64798
ChEBI Nameγ-muurolene
Stars
ASCII Namegamma-muurolene
DefinitionA sesquiterpene that is 1,2,3,4,4a,5,6,8a-octahydronaphthalene which is substituted at positions 1, 4 and 7 respetively by isopropyl, methylene and methyl groups (the 1S,4aS,8aR-diastereoisomer).
Last Modified7 September 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILES[H][C@@]12C=C(C)CC[C@]1([H])C(=C)CC[C@H]2C(C)C
InChIInChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14+,15-/m0/s1
InChIKeyWRHGORWNJGOVQY-ZNMIVQPWSA-N
ChEBI Ontology
Outgoing Relation(s)
γ-muurolene (CHEBI:64798) is a carbobicyclic compound (CHEBI:36785)
γ-muurolene (CHEBI:64798) is a octahydronaphthalenes (CHEBI:138397)
γ-muurolene (CHEBI:64798) is a sesquiterpene (CHEBI:35189)
IUPAC Name 
(1S,4aS,8aR)-7-methyl-4-methylene-1-(propan-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene
Synonym  Source
(1S,4aS,8aR)-1-isopropyl-7-methyl-4-methylene-1,2,3,4,4a,5,6,8a-octahydronaphthaleneSUBMITTER
UniProt Name  Source
γ-muuroleneUniProt
Manual XrefsDatabases
CPD-8791MetaCyc
Registry NumbersSources
Reaxys:2044551Reaxys
Citations