EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
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: | 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. |
| Applications: | 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. fragrance A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. radiation protective agent Any compound that is able to protect normal cells from the damage caused by radiation therapy. anti-inflammatory agent Any compound that has anti-inflammatory effects. flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| 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 |
|---|