tembotrione (CHEBI:132273)

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ChEBI Name	tembotrione

ChEBI ID	CHEBI:132273

Definition	An aromatic ketone that is 2-benzoylcyclohexane-1,3-dione in which the phenyl group is substituted at positions 2, 3, and 4 by chlorine, (2,2,2-trifluoroethoxy)methyl, and methylsulfonyl groups, respectively. It is a post-emergence herbicide used (particularly in conjunction with the herbicide safener cyprosulfamide) for the control of a wide range of broad-leaved and grassy weeds in corn and other crops.

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

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Formula

C17H16ClF3O6S

Net Charge

Average Mass

440.820

Monoisotopic Mass

440.03082

InChI

InChI=1S/C17H16ClF3O6S/c1-28(25,26)13-6-5-9(15(18)10(13)7-27-8-17(19,20)21)16(24)14-11(22)3-2-4-12(14)23/h5-6,14H,2-4,7-8H2,1H3

InChIKey

IUQAXCIUEPFPSF-UHFFFAOYSA-N

SMILES

C1(C(C(CCC1)=O)C(=O)C2=C(C(=C(C=C2)S(C)(=O)=O)COCC(F)(F)F)Cl)=O

Roles Classification
Biological Role(s):	EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor An EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 atoms of oxygen) inhibitor that interferes with the activity of 4-hydroxyphenylpyruvate dioxygenase (EC 1.13.11.27). carotenoid biosynthesis inhibitor Any pathway inhibitor that acts on the carotenoid biosynthesis pathway.

Application(s):	herbicide A substance used to destroy plant pests. agrochemical An agrochemical is a substance that is used in agriculture or horticulture.

ChEBI Ontology
Outgoing	tembotrione (CHEBI:132273) has role agrochemical (CHEBI:33286) tembotrione (CHEBI:132273) has role carotenoid biosynthesis inhibitor (CHEBI:138208) tembotrione (CHEBI:132273) has role EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor (CHEBI:38317) tembotrione (CHEBI:132273) has role herbicide (CHEBI:24527) tembotrione (CHEBI:132273) is a β-triketone (CHEBI:140323) tembotrione (CHEBI:132273) is a aromatic ketone (CHEBI:76224) tembotrione (CHEBI:132273) is a cyclic ketone (CHEBI:3992) tembotrione (CHEBI:132273) is a ether (CHEBI:25698) tembotrione (CHEBI:132273) is a monochlorobenzenes (CHEBI:83403) tembotrione (CHEBI:132273) is a organofluorine compound (CHEBI:37143) tembotrione (CHEBI:132273) is a sulfone (CHEBI:35850)

IUPAC Name

2-{2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}cyclohexane-1,3-dione

Synonyms	Sources
2-[2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl]-1,3-cyclohexanedione	Alan Wood's Pesticides
2-{2-chloro-4-(methanesulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}cyclohexane-1,3-dione	Alan Wood's Pesticides
2-{2-chloro-4-mesyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}cyclohexane-1,3-dione	Alan Wood's Pesticides

Last Modified

04 March 2018