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CHEBI:132273 - tembotrione

ChEBI IDCHEBI:132273
ChEBI Nametembotrione
Stars
DefinitionAn 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.
Last Modified4 March 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC17H16ClF3O6S
Net Charge0
Average Mass440.823
Monoisotopic Mass440.03082
SMILESCS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1COCC(F)(F)F
InChIInChI=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
InChIKeyIUQAXCIUEPFPSF-UHFFFAOYSA-N
Roles Classification
Biological Roles:
carotenoid biosynthesis inhibitor  Any pathway inhibitor that acts on the carotenoid biosynthesis pathway.
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).
Applications:
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
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 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)
tembotrione (CHEBI:132273) is a β-triketone (CHEBI:140323)
IUPAC Name 
2-{2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}cyclohexane-1,3-dione
Synonyms  Source
2-{2-chloro-4-(methanesulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}cyclohexane-1,3-dioneAlan Wood's Pesticides
2-{2-chloro-4-mesyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}cyclohexane-1,3-dioneAlan Wood's Pesticides
2-[2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl]-1,3-cyclohexanedioneAlan Wood's Pesticides
Manual XrefsDatabases
tembotrioneAlan Wood's Pesticides
1118PPDB
Registry NumbersSources
Reaxys:11322456Reaxys
CAS:335104-84-2ChemIDplus
CAS:335104-84-2Alan Wood's Pesticides
Citations