CHEBI:67251 - β-damascenone

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ChEBI Name β-damascenone
ChEBI ID CHEBI:67251
ChEBI ASCII Name beta-damascenone
Definition A cyclic monoterpene ketone that is 2,6,6-trimethylcyclohexa-1,3-diene substituted at position 1 by a crotonoyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anonymous
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Formula C13H18O
Net Charge 0
Average Mass 190.28140
Monoisotopic Mass 190.136
InChI InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+
InChIKey POIARNZEYGURDG-FNORWQNLSA-N
SMILES C\C=C\C(=O)C1=C(C)C=CCC1(C)C
Metabolite of Species Details
Cirsium palustre (NCBI:143190) Found in root (BTO:0001188). See: PubMed
Roles Classification
Biological Role(s): volatile oil component
Any metabolite that is found naturally as a component of a volatile oil.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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 β-damascenone (CHEBI:67251) has role fragrance (CHEBI:48318)
β-damascenone (CHEBI:67251) has role plant metabolite (CHEBI:76924)
β-damascenone (CHEBI:67251) has role volatile oil component (CHEBI:27311)
β-damascenone (CHEBI:67251) is a apo carotenoid monoterpenoid (CHEBI:49247)
β-damascenone (CHEBI:67251) is a cyclic monoterpene ketone (CHEBI:23446)
β-damascenone (CHEBI:67251) is a enone (CHEBI:51689)
IUPAC Name
(2E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one
Synonyms Sources
(2E)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one NIST Chemistry WebBook
(E)-1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one ChemIDplus
(E)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one NIST Chemistry WebBook
(E)-β-damascenone NIST Chemistry WebBook
β-(E)-damascenone NIST Chemistry WebBook
damascenone NIST Chemistry WebBook
trans-β-damascenone NIST Chemistry WebBook
trans-damascenone NIST Chemistry WebBook
Database Link Database
Damascenone Wikipedia
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Registry Numbers Types Sources
2046080 Reaxys Registry Number Reaxys
23726-93-4 CAS Registry Number ChemIDplus
23726-93-4 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
21254776 PubMed citation Europe PMC
21417409 PubMed citation Europe PMC
21831389 PubMed citation Europe PMC
21866982 PubMed citation Europe PMC
22324474 PubMed citation Europe PMC
22474978 PubMed citation Europe PMC
22489542 PubMed citation Europe PMC
22663147 PubMed citation Europe PMC
22890807 PubMed citation Europe PMC
Last Modified
23 October 2015