CHEBI:81852 - pentoxazone

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ChEBI Name pentoxazone
ChEBI ID CHEBI:81852
Definition An oxazolidinone that is 1,3-oxazolidine-2,4-dione which is substituted on the nitrogen (position 3) by a 4-chloro-5-(cyclopentyloxy)-2-fluorophenyl group, and at position 5 by an isopropylidene group. A protoporphyrinogen oxidase inhibitor, it is used as a pre- and post-emergence herbicide to control weeds in rice.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C17H17ClFNO4
Net Charge 0
Average Mass 353.773
Monoisotopic Mass 353.08301
InChI InChI=1S/C17H17ClFNO4/c1-9(2)15-16(21)20(17(22)24-15)13-8-14(11(18)7-12(13)19)23-10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3
InChIKey JZPKLLLUDLHCEL-UHFFFAOYSA-N
SMILES C1(=C(C=C(C(=C1)N2C(OC(C2=O)=C(C)C)=O)F)Cl)OC3CCCC3
Roles Classification
Biological Role(s): EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor
An EC 1.3.3.* (oxidoreductase acting on donor CH-CH group with oxygen as acceptor) inhibitor that interferes with the action of protoporphyrinogen oxidase (EC 1.3.3.4).
Application(s): agrochemical
An agrochemical is a substance that is used in agriculture or horticulture.
herbicide
A substance used to destroy plant pests.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing pentoxazone (CHEBI:81852) has role agrochemical (CHEBI:33286)
pentoxazone (CHEBI:81852) has role EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor (CHEBI:73192)
pentoxazone (CHEBI:81852) has role herbicide (CHEBI:24527)
pentoxazone (CHEBI:81852) is a aromatic ether (CHEBI:35618)
pentoxazone (CHEBI:81852) is a monochlorobenzenes (CHEBI:83403)
pentoxazone (CHEBI:81852) is a monofluorobenzenes (CHEBI:83575)
pentoxazone (CHEBI:81852) is a oxazolidinone (CHEBI:55374)
IUPAC Name
3-[4-chloro-5-(cyclopentyloxy)-2-fluorophenyl]-5-isopropylidene-1,3-oxazolidine-2,4-dione
Synonyms Sources
3-[4-chloro-5-(cyclopentyloxy)-2-fluorophenyl]-5-(1-methylethylidene)-2,4-oxazolidinedione Alan Wood's Pesticides
3-[4-chloro-5-(cyclopentyloxy)-2-fluorophenyl]-5-(propan-2-ylidene)-1,3-oxazolidine-2,4-dione Alan Wood's Pesticides
Manual Xrefs Databases
1162 PPDB
C18592 KEGG COMPOUND
pentoxazone Alan Wood's Pesticides
View more database links
Registry Numbers Types Sources
110956-75-7 CAS Registry Number ChemIDplus
110956-75-7 CAS Registry Number Alan Wood's Pesticides
11343515 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21590715 PubMed citation Europe PMC
Last Modified
17 August 2017