CHEBI:81817 - trinexapac-ethyl

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ChEBI Name trinexapac-ethyl
ChEBI ID CHEBI:81817
Definition An ethyl ester resulting from the formal condensation of the carboxy group of trinexapac with ethanol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C13H16O5
Net Charge 0
Average Mass 252.264
Monoisotopic Mass 252.09977
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
SMILES C/1(\C(CC(CC1=O)C(OCC)=O)=O)=C(\C2CC2)/O
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): gibberellin biosynthesis inhibitor
Any compound that inhibits one or more steps in the pathway leading to the synthesis of gibberellins.
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.
Application(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 β-hydroxy ketone (CHEBI:55380)
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)
IUPAC Name
ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexanecarboxylate
Synonyms Sources
ethyl (RS)-4-cyclopropyl(hydroxy)methylene-3,5-dioxocyclohexanecarboxylate Alan Wood's Pesticides
ethyl 4-(cyclopropylhydroxymethylene)-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
View more database links
Registry Numbers Types Sources
11736961 Reaxys Registry Number Reaxys
95266-40-3 CAS Registry Number Alan Wood's Pesticides
95266-40-3 CAS Registry Number NIST Chemistry WebBook
95266-40-3 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
IND44384082 Agricola citation Europe PMC
Last Modified
14 June 2017
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag