CHEBI:63781 - traseolide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name traseolide
ChEBI ID CHEBI:63781
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information eMolecules:36759523
Download Molfile XML SDF
Formula C18H26O
Net Charge 0
Average Mass 258.39840
Monoisotopic Mass 258.19837
InChI InChI=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
InChIKey IMRYETFJNLKUHK-UHFFFAOYSA-N
SMILES CC(C)C1C(C)C(C)(C)c2cc(C)c(cc12)C(C)=O
Roles Classification
Biological Role(s): odorant receptor agonist
An agonist that selectively binds to and activates an odorant receptor.
Application(s): fragrance
A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 (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 Numbers Types Sources
68140-48-7 CAS Registry Number ChemIDplus
68140-48-7 CAS Registry Number NIST Chemistry WebBook
Citation Waiting for Citations Type Source
10525411 PubMed citation Europe PMC
Last Modified
07 November 2013