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CHEBI:81817 - trinexapac-ethyl
| Formula | C13H16O5 |
| Net Charge | 0 |
| Average Mass | 252.266 |
| Monoisotopic Mass | 252.09977 |
| SMILES | CCOC(=O)C1CC(=O)C(=C(O)C2CC2)C(=O)C1 |
| InChI | InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3/b12-11- |
| InChIKey | RVKCCVTVZORVGD-QXMHVHEDSA-N |
| Roles Classification |
|---|
| Chemical Role: | environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. |
| Biological Roles: | xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. plant growth regulator A chemical, natural or artificial, that can affect the rate of growth of a plant. gibberellin biosynthesis inhibitor Any compound that inhibits one or more steps in the pathway leading to the synthesis of gibberellins. |
| Applications: | agrochemical An agrochemical is a substance that is used in agriculture or horticulture. pro-agent A compound that, on administration, undergoes conversion by biochemical (enzymatic), chemical (possibly following an enzymatic step), or physical (e.g. photochemical) activation processes before becoming the active agent for which it is a pro-agent. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| trinexapac-ethyl (CHEBI:81817) has functional parent trinexapac (CHEBI:83454) |
| trinexapac-ethyl (CHEBI:81817) has role agrochemical (CHEBI:33286) |
| trinexapac-ethyl (CHEBI:81817) has role environmental contaminant (CHEBI:78298) |
| trinexapac-ethyl (CHEBI:81817) has role gibberellin biosynthesis inhibitor (CHEBI:73193) |
| trinexapac-ethyl (CHEBI:81817) has role plant growth regulator (CHEBI:26155) |
| trinexapac-ethyl (CHEBI:81817) has role pro-agent (CHEBI:136859) |
| trinexapac-ethyl (CHEBI:81817) has role xenobiotic (CHEBI:35703) |
| trinexapac-ethyl (CHEBI:81817) is a cyclohexanones (CHEBI:23482) |
| trinexapac-ethyl (CHEBI:81817) is a cyclopropanes (CHEBI:51454) |
| trinexapac-ethyl (CHEBI:81817) is a enol (CHEBI:33823) |
| trinexapac-ethyl (CHEBI:81817) is a ethyl ester (CHEBI:23990) |
| trinexapac-ethyl (CHEBI:81817) is a β-hydroxy ketone (CHEBI:55380) |
| IUPAC Name |
|---|
| ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexanecarboxylate |
| Synonyms | Source |
|---|---|
| ethyl 4-(cyclopropylhydroxymethylene)-3,5-dioxocyclohexanecarboxylate | Alan Wood's Pesticides |
| ethyl (RS)-4-cyclopropyl(hydroxy)methylene-3,5-dioxocyclohexanecarboxylate | Alan Wood's Pesticides |
| Manual Xrefs | Databases |
|---|---|
| C18541 | KEGG COMPOUND |
| derivatives/trinexapac-ethyl | Alan Wood's Pesticides |
| EP126713 | Patent |
| US2011230347 | Patent |
| US4693745 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:11736961 | Reaxys |
| CAS:95266-40-3 | KEGG COMPOUND |
| CAS:95266-40-3 | Alan Wood's Pesticides |
| CAS:95266-40-3 | ChemIDplus |
| CAS:95266-40-3 | NIST Chemistry WebBook |
| Citations |
|---|