CHEBI:34938 - propoxur

ChEBI IDCHEBI:34938
ChEBI Namepropoxur
Stars
DefinitionA carbamate ester that is phenyl methylcarbamate substituted at position 2 by a propan-2-yloxy group.
Last Modified9 September 2022
DownloadsMolfile
FormulaC11H15NO3
Net Charge0
Average Mass209.245
Monoisotopic Mass209.10519
SMILESCNC(=O)Oc1ccccc1OC(C)C
InChIInChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)
InChIKeyISRUGXGCCGIOQO-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
carbamate insecticide  Derivatives of carbamic acid with insecticidal properties of general formula ROC(=O)NR1R2, where ROH is an alcohol, oxime, or phenol and R1 is hydrogen or methyl. Like organophosphate insecticides, they are cholinesterase inhibitors, but carbamate insecticides differ in action from the organophosphates in that the inhibitory effect on cholinesterase is generally brief.
EC 3.1.1.7 (acetylcholinesterase) inhibitor  An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid.
Applications:
carbamate insecticide  Derivatives of carbamic acid with insecticidal properties of general formula ROC(=O)NR1R2, where ROH is an alcohol, oxime, or phenol and R1 is hydrogen or methyl. Like organophosphate insecticides, they are cholinesterase inhibitors, but carbamate insecticides differ in action from the organophosphates in that the inhibitory effect on cholinesterase is generally brief.
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
acaricide  A substance used to destroy pests of the subclass Acari (mites and ticks).
ChEBI Ontology
Outgoing Relation(s)
propoxur (CHEBI:34938) has functional parent 2-isopropoxyphenol (CHEBI:38547)
propoxur (CHEBI:34938) has functional parent methylcarbamic acid (CHEBI:45379)
propoxur (CHEBI:34938) has role acaricide (CHEBI:22153)
propoxur (CHEBI:34938) has role agrochemical (CHEBI:33286)
propoxur (CHEBI:34938) has role carbamate insecticide (CHEBI:38461)
propoxur (CHEBI:34938) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
propoxur (CHEBI:34938) is a aromatic ether (CHEBI:35618)
propoxur (CHEBI:34938) is a carbamate ester (CHEBI:23003)
IUPAC Name 
2-(propan-2-yloxy)phenyl methylcarbamate
Synonyms  Source
PropoxurKEGG COMPOUND
AprocarbKEGG COMPOUND
2-Isopropoxyphenyl N-methylcarbamateKEGG COMPOUND
2-(1-methylethoxy)phenyl methylcarbamateIUPAC
2-Isopropoxyphenyl methylcarbamateChemIDplus
BaygonChemIDplus
UniProt Name  Source
propoxurUniProt
Manual XrefsDatabases
C14334KEGG COMPOUND
propoxurAlan Wood's Pesticides
D08442KEGG DRUG
PropoxurWikipedia
553PPDB
553VSDB
Registry NumbersSources
Reaxys:1879891Reaxys
CAS:114-26-1KEGG COMPOUND
CAS:114-26-1ChemIDplus
CAS:114-26-1NIST Chemistry WebBook
Citations