CHEBI:53220 - 1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-enone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-enone
Definition An enone with a trimethylcyclohexenyl substituent at C-1.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C13H20O
Net Charge 0
Average Mass 192.29730
Monoisotopic Mass 192.15142
InChI InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3/b7-5+
Roles Classification
Biological Role(s): allergen
A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
Application(s): fragrance
A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
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ChEBI Ontology
Outgoing 1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-enone (CHEBI:53220) has role allergen (CHEBI:50904)
1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-enone (CHEBI:53220) has role fragrance (CHEBI:48318)
1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-enone (CHEBI:53220) is a enone (CHEBI:51689)
Synonyms Sources
1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-butenone ChEBI
1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-trans-2-Buten-1-one ChemIDplus
4-(2,6,6-Trimethyl-2-cyclohexenyl)-2-buten-4-one ChemIDplus
alpha-Damascone ChemIDplus
TMCHB ChemIDplus
Manual Xrefs Databases
KR20080008859 Patent
US2008096790 Patent
US4990496 Patent
View more database links
Registry Numbers Types Sources
2208707 Beilstein Registry Number Beilstein
2208707 Reaxys Registry Number Reaxys
43052-87-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
12581281 PubMed citation Europe PMC
15575784 PubMed citation Europe PMC
16348390 PubMed citation Europe PMC
18031884 PubMed citation Europe PMC
18031900 PubMed citation Europe PMC
3180787 PubMed citation Europe PMC
Last Modified
20 May 2013