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CHEBI:63781 - traseolide

ChEBI IDCHEBI:63781
ChEBI Nametraseolide
Stars
DefinitionAn indane derivative in which the indane skeleton is substituted by geminal methyl groups at C-1, by single methyl groups at C-2 and C-6, by an isopropyl group at C-3 and by an acetyl group at C-6. It is a constituent of musk odorant.
Last Modified7 November 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC18H26O
Net Charge0
Average Mass258.405
Monoisotopic Mass258.19837
SMILESCC(=O)c1cc2c(cc1C)C(C)(C)C(C)C2C(C)C
InChIInChI=1S/C18H26O/c1-10(2)17-12(4)18(6,7)16-8-11(3)14(13(5)19)9-15(16)17/h8-10,12,17H,1-7H3
InChIKeyIMRYETFJNLKUHK-UHFFFAOYSA-N
Roles Classification
Biological Role:
odorant receptor agonist  An agonist that selectively binds to and activates an odorant receptor.
Application:
fragrance  A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
ChEBI Ontology
Outgoing Relation(s)
traseolide (CHEBI:63781) has role fragrance (CHEBI:48318)
traseolide (CHEBI:63781) has role odorant receptor agonist (CHEBI:62873)
traseolide (CHEBI:63781) is a aromatic ketone (CHEBI:76224)
traseolide (CHEBI:63781) is a indanes (CHEBI:46940)
traseolide (CHEBI:63781) is a methyl ketone (CHEBI:51867)
Incoming Relation(s)
(S,S)-trans-1-isopropyl-2,3,3,5-tetramethyl-6-succinylindane (CHEBI:46099) has functional parent traseolide (CHEBI:63781)
(S,S)-traseolide (CHEBI:63780) is a traseolide (CHEBI:63781)
IUPAC Name 
1-[1,1,2,6-tetramethyl-3-(propan-2-yl)-2,3-dihydro-1H-inden-5-yl]ethanone
Registry NumbersSources
CAS:68140-48-7ChemIDplus
CAS:68140-48-7NIST Chemistry WebBook
Citations