beta-damascenone (CHEBI:67251)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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

Supplier Information

Download	Molfile XML SDF

Wikipedia	License

Read full article at Wikipedia

Formula

C13H18O

Net Charge

Average Mass

190.28140

Monoisotopic Mass

190.13577

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:txid143190)	Found in root (BTO:0001188). See: PubMed

Roles Classification
Biological Role(s):	volatile oil component Any plant 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.

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

Last Modified

23 October 2015