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CHEBI:228214 - benquitrione

ChEBI IDCHEBI:228214
ChEBI Namebenquitrione
Stars
DefinitionA member of the class of quinazolines that is 1-methylquinazoline-2,4(1H,3H)-dione substituted by 2,6-dimethylphenyl and 2-hydroxy-6-oxocyclohex-1-ene-1-carbonyl groups at positions 3 and 6, respectively. It is a HPPD inhibitor and a selective herbicide used for the weed control in Sorghum crops.
Last Modified14 November 2023
SubmitterAdnan
DownloadsMolfile
FormulaC24H22N2O5
Net Charge0
Average Mass418.449
Monoisotopic Mass418.15287
SMILESCc1cccc(C)c1-n1c(=O)c2cc(C(=O)C3=C(O)CCCC3=O)ccc2n(C)c1=O
InChIInChI=1S/C24H22N2O5/c1-13-6-4-7-14(2)21(13)26-23(30)16-12-15(10-11-17(16)25(3)24(26)31)22(29)20-18(27)8-5-9-19(20)28/h4,6-7,10-12,27H,5,8-9H2,1-3H3
InChIKeyIFHRYUOSJUERAZ-UHFFFAOYSA-N
Roles Classification
Biological Role:
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).
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
benquitrione (CHEBI:228214) has role EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor (CHEBI:38317)
benquitrione (CHEBI:228214) has role herbicide (CHEBI:24527)
benquitrione (CHEBI:228214) is a aromatic ketone (CHEBI:76224)
benquitrione (CHEBI:228214) is a cyclohexenones (CHEBI:48953)
benquitrione (CHEBI:228214) is a enol (CHEBI:33823)
benquitrione (CHEBI:228214) is a enone (CHEBI:51689)
benquitrione (CHEBI:228214) is a methylbenzene (CHEBI:38975)
benquitrione (CHEBI:228214) is a quinazolines (CHEBI:38530)
IUPAC Name 
3-(2,6-dimethylphenyl)-6-[(2-hydroxy-6-oxocyclohex-1-en-1-yl)carbonyl]-1-methylquinazoline-2,4(1H,3H)-dione
Synonyms  Source
3-(2,6-dimethylphenyl)-6-(2-hydroxy-6-oxocyclohex-1-ene-1-carbonyl)-1-methylquinazoline-2,4(1H,3H)-dioneIUPAC
3-(2,6-dimethylphenyl)-6-[2-hydroxy-6-oxo(cyclohex-1-ene-1-carbonyl)]-1-methylquinazoline-2,4(1H,3H)-dioneAlan Wood's Pesticides
6-[(2-hydroxy-6-oxocyclohex-1-en-1-yl)carbonyl]-1-methyl-3-(2,6-xylyl)quinazoline-2,4(1H,3H)-dioneAlan Wood's Pesticides
3-(2,6-dimethylphenyl)-6-[(2-hydroxy-6-oxo-1-cyclohexen-1-yl)carbonyl]-1-methyl-2,4(1H,3H)-quinazolinedioneAlan Wood's Pesticides
quinotrionePPDB
Y13161PPDB
Manual XrefsDatabases
benquitrioneAlan Wood's Pesticides
3345PPDB
Registry NumbersSources
CAS:1639426-14-4Alan Wood's Pesticides
Citations