benquitrione (CHEBI:228214)

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ChEBI Name	benquitrione

ChEBI ID	CHEBI:228214

Definition	A 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.

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

Supplier Information

Download	Molfile XML SDF

Formula

C24H22N2O5

Net Charge

Average Mass

418.449

Monoisotopic Mass

418.15287

InChI

InChI=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

InChIKey

IFHRYUOSJUERAZ-UHFFFAOYSA-N

SMILES

CN1C(=O)N(C(=O)C2=C1C=CC(=C2)C(=O)C1=C(O)CCCC1=O)C1=C(C)C=CC=C1C

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).

Application(s):	herbicide A substance used to destroy plant pests.

ChEBI Ontology
Outgoing	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	Sources
3-(2,6-dimethylphenyl)-6-(2-hydroxy-6-oxocyclohex-1-ene-1-carbonyl)-1-methylquinazoline-2,4(1H,3H)-dione	IUPAC
3-(2,6-dimethylphenyl)-6-[(2-hydroxy-6-oxo-1-cyclohexen-1-yl)carbonyl]-1-methyl-2,4(1H,3H)-quinazolinedione	Alan Wood's Pesticides
3-(2,6-dimethylphenyl)-6-[2-hydroxy-6-oxo(cyclohex-1-ene-1-carbonyl)]-1-methylquinazoline-2,4(1H,3H)-dione	Alan Wood's Pesticides
6-[(2-hydroxy-6-oxocyclohex-1-en-1-yl)carbonyl]-1-methyl-3-(2,6-xylyl)quinazoline-2,4(1H,3H)-dione	Alan Wood's Pesticides
quinotrione	PPDB
Y13161	PPDB

Registry Number	Type	Source
1639426-14-4	CAS Registry Number	Alan Wood's Pesticides

Last Modified

14 November 2023