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CHEBI:68657 - zingerone
| Formula | C11H14O3 |
| Net Charge | 0 |
| Average Mass | 194.230 |
| Monoisotopic Mass | 194.09429 |
| SMILES | COc1cc(CCC(C)=O)ccc1O |
| 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 |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Zingiber mioga (ncbitaxon:136225) | - | DOI (10.3390/molecules200916170) | |
| Zingiber officinale (ncbitaxon:94328) | - | DOI (10.1155/2015/816364) |
| Roles Classification |
|---|
| Chemical Roles: | flavouring agent A food additive that is used to added improve the taste or odour of a food. antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. |
| Biological Roles: | flavouring agent A food additive that is used to added improve the taste or odour of a food. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| Applications: | flavouring agent A food additive that is used to added improve the taste or odour of a food. anti-inflammatory agent Any compound that has anti-inflammatory effects. fragrance A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. 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. radiation protective agent Any compound that is able to protect normal cells from the damage caused by radiation therapy. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 | Source |
|---|---|
| (0)-Paradol | ChemIDplus |
| [0]-Paradol | KEGG COMPOUND |
| 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 |
| Manual Xrefs | Databases |
|---|---|
| C17497 | KEGG COMPOUND |
| DE102009055915 | Patent |
| EP1336602 | Patent |
| EP2327393 | Patent |
| HMDB0032590 | HMDB |
| US2002051800 | Patent |
| US2003068276 | Patent |
| US5035882 | Patent |
| US5908770 | Patent |
| US6306429 | Patent |
| US6432441 | Patent |
| US6500797 | Patent |
| WO2011063863 | Patent |
| WO2011063864 | Patent |
| WO2011063865 | Patent |
| Zingerone | Wikipedia |
| Citations |
|---|