traseolide (CHEBI:63781)

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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

Download	Molfile XML SDF

Formula

C18H26O

Net Charge

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.

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

Citation	Type	Source
10525411	PubMed citation	Europe PMC

Last Modified

07 November 2013