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CHEBI:40290 - DAS869

ChEBI IDCHEBI:40290
ChEBI NameDAS869
Stars
Secondary ChEBI IDsCHEBI:38302, CHEBI:40285
Last Modified21 November 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC23H26N2O5S
Net Charge0
Average Mass442.537
Monoisotopic Mass442.15624
SMILESCOc1ccc(-c2c(S(C)(=O)=O)ccc(C(=O)c3cnn(C(C)(C)C)c3O)c2C)cc1
InChIInChI=1S/C23H26N2O5S/c1-14-17(21(26)18-13-24-25(22(18)27)23(2,3)4)11-12-19(31(6,28)29)20(14)15-7-9-16(30-5)10-8-15/h7-13,27H,1-6H3
InChIKeyAVFXBZIGDFPGBY-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)
DAS869 (CHEBI:40290) has role EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor (CHEBI:38317)
DAS869 (CHEBI:40290) has role herbicide (CHEBI:24527)
DAS869 (CHEBI:40290) is a benzoylpyrazole (CHEBI:38318)
IUPAC Name 
(1-tert-butyl-5-hydroxy-1H-pyrazol-4-yl)[4'-methoxy-2-methyl-6-(methanesulfonyl)biphenyl-3-yl]methanone
Manual XrefsDatabases
869PDBeChem