EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:63956 - isoxaben

ChEBI IDCHEBI:63956
ChEBI Nameisoxaben
Stars
DefinitionA benzamide obtained by formal condensation of the carboxy group of 2,6-dimethoxybenzoic acid and the amino group of 3-(3-methylpentan-3-yl)-1,2-oxazol-5-amine.
Last Modified20 February 2012
SubmitterSteve
DownloadsMolfile
FormulaC18H24N2O4
Net Charge0
Average Mass332.400
Monoisotopic Mass332.17361
SMILESCCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1
InChIInChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)
InChIKeyPMHURSZHKKJGBM-UHFFFAOYSA-N
Roles Classification
Biological Role:
cellulose synthesis inhibitor  An pathway inhibitor that inhibits the synthesis of cellulose.
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
isoxaben (CHEBI:63956) has role cellulose synthesis inhibitor (CHEBI:63958)
isoxaben (CHEBI:63956) has role herbicide (CHEBI:24527)
isoxaben (CHEBI:63956) is a benzamides (CHEBI:22702)
isoxaben (CHEBI:63956) is a isoxazoles (CHEBI:55373)
IUPAC Name 
2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide
Synonyms  Source
2,6-Dimethoxy-N-(3-(1-ethyl-1-methylpropyl)-5-isoxazolyl)benzamideChemIDplus
N-(3-(1-Ethyl-1-methylpropyl)-5-isoxazolyl)-2,6-dimethoxybenzamideChemIDplus
Manual XrefsDatabases
C18504KEGG COMPOUND
411PPDB
Registry NumbersSources
Reaxys:6612136Reaxys
CAS:82558-50-7KEGG COMPOUND
CAS:82558-50-7ChemIDplus
CAS:82558-50-7NIST Chemistry WebBook
Citations