pinoxaden (CHEBI:83524)

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ChEBI Name	pinoxaden

ChEBI ID	CHEBI:83524

Definition	A pyrazolooxadiazepine that is 7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin which is substituted at positions 8 and 9 by 2,6-diethyl-4-methylphenyl and pivaloyloxy groups, respectively. A pro-herbicide (by hydrolysis of the pivalate ester to give the corresponding enol), it is used for control of grass weeds in cereal crops.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C23H32N2O4

Net Charge

Average Mass

400.51120

Monoisotopic Mass

400.23621

InChI

InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3

InChIKey

MGOHCFMYLBAPRN-UHFFFAOYSA-N

SMILES

CCc1cc(C)cc(CC)c1-c1c(OC(=O)C(C)(C)C)n2CCOCCn2c1=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):	EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor An EC 6.4.1.* (C1C bond-forming ligase) inhibitor that interferes with the action of acetyl-CoA carboxylase (EC 6.4.1.2). 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. proherbicide A compound that, on administration, must undergo chemical conversion by biochemical (enzymatic), chemical (possibly following an enzymatic step), or physical (e.g. photochemical) activation processes before becoming the pharmacologically active herbicide for which it is a proherbicide.

ChEBI Ontology
Outgoing	pinoxaden (CHEBI:83524) has functional parent pinoxaden acid (CHEBI:141347) pinoxaden (CHEBI:83524) has role agrochemical (CHEBI:33286) pinoxaden (CHEBI:83524) has role EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor (CHEBI:70722) pinoxaden (CHEBI:83524) has role environmental contaminant (CHEBI:78298) pinoxaden (CHEBI:83524) has role proherbicide (CHEBI:136646) pinoxaden (CHEBI:83524) has role xenobiotic (CHEBI:35703) pinoxaden (CHEBI:83524) is a pivalate ester (CHEBI:50784) pinoxaden (CHEBI:83524) is a pyrazolooxadiazepine (CHEBI:136684)

IUPAC Name

8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl 2,2-dimethylpropanoate

Synonym	Source
8-(2,6-diethyl-p-tolyl)-1,2,4,5-tetrahydro-7-oxo-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl 2,2-dimethylpropionate	Alan Wood's Pesticides

Last Modified

10 May 2019