zingerone (CHEBI:68657)

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ChEBI Name	zingerone

ChEBI ID	CHEBI:68657

Definition	A methyl ketone that is 4-phenylbutan-2-one in which the phenyl ring is substituted at positions 3 and 4 by methoxy and hydroxy groups respectively. The major pungent component in ginger.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	KAX

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Formula

C11H14O3

Net Charge

Average Mass

194.22710

Monoisotopic Mass

194.09429

InChI

InChI=1S/C11H14O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-7,13H,3-4H2,1-2H3

InChIKey

OJYLAHXKWMRDGS-UHFFFAOYSA-N

SMILES

COc1cc(CCC(C)=O)ccc1O

Metabolite of Species	Details
Zingiber mioga (NCBI:txid136225)	See: DOI
Zingiber officinale (NCBI:txid94328)	See: DOI

Roles Classification
Chemical Role(s):	antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.

Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. flavouring agent A food additive that is used to added improve the taste or odour of a food.

Application(s):	anti-inflammatory agent Any compound that has anti-inflammatory effects. radiation protective agent Any compound that is able to protect normal cells from the damage caused by radiation therapy. antiemetic A drug used to prevent nausea or vomiting. An antiemetic may act by a wide range of mechanisms: it might affect the medullary control centres (the vomiting centre and the chemoreceptive trigger zone) or affect the peripheral receptors. flavouring agent A food additive that is used to added improve the taste or odour of a food. fragrance A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.

ChEBI Ontology
Outgoing	zingerone (CHEBI:68657) has role anti-inflammatory agent (CHEBI:67079) zingerone (CHEBI:68657) has role antiemetic (CHEBI:50919) zingerone (CHEBI:68657) has role antioxidant (CHEBI:22586) zingerone (CHEBI:68657) has role flavouring agent (CHEBI:35617) zingerone (CHEBI:68657) has role fragrance (CHEBI:48318) zingerone (CHEBI:68657) has role plant metabolite (CHEBI:76924) zingerone (CHEBI:68657) has role radiation protective agent (CHEBI:66987) zingerone (CHEBI:68657) is a methyl ketone (CHEBI:51867) zingerone (CHEBI:68657) is a monomethoxybenzene (CHEBI:25235) zingerone (CHEBI:68657) is a phenols (CHEBI:33853)

IUPAC Name

4-(4-hydroxy-3-methoxyphenyl)butan-2-one

Synonyms	Sources
(0)-Paradol	ChemIDplus
(4-Hydroxy-3-methoxyphenyl)ethyl methyl ketone	ChemIDplus
2-(4-Hydroxy-3-methoxyphenyl)ethyl methyl ketone	ChemIDplus
3-Methoxy-4-hydroxybenzylacetone	NIST Chemistry WebBook
4-(3-Methoxy-4-hydroxyphenyl)-2-butanone	ChemIDplus
4-(3-methoxy-4-hydroxyphenyl)butan-2-one	SUBMITTER
4-(4-Hydroxy-3-methoxyphenyl)-2-butanone	NIST Chemistry WebBook
4-Hydroxy-3-methoxybenzylacetone	ChemIDplus
[0]-Paradol	KEGG COMPOUND
Gingerone	HMDB
vanillylacetone	SUBMITTER
Vanillylacetone	KEGG COMPOUND
Zingherone	ChemIDplus
Zingiberone	KEGG COMPOUND

Last Modified

20 May 2021