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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: | plant growth regulator A chemical, natural or artificial, that can affect the rate of growth of a plant. 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. gibberellin biosynthesis inhibitor Any compound that inhibits one or more steps in the pathway leading to the synthesis of gibberellins. |
| Applications: | 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. agrochemical An agrochemical is a substance that is used in agriculture or horticulture. |
| 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 |
| US2011230347 | Patent |
| EP126713 | Patent |
| US4693745 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:11736961 | Reaxys |
| CAS:95266-40-3 | KEGG COMPOUND |
| CAS:95266-40-3 | ChemIDplus |
| CAS:95266-40-3 | NIST Chemistry WebBook |
| CAS:95266-40-3 | Alan Wood's Pesticides |
| Citations |
|---|