CHEBI:38505 - isoprocarb

ChEBI IDCHEBI:38505
ChEBI Nameisoprocarb
Stars
Last Modified9 September 2022
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC11H15NO2
Net Charge0
Average Mass193.246
Monoisotopic Mass193.11028
SMILESCNC(=O)Oc1ccccc1C(C)C
InChIInChI=1S/C11H15NO2/c1-8(2)9-6-4-5-7-10(9)14-11(13)12-3/h4-8H,1-3H3,(H,12,13)
InChIKeyQBSJMKIUCUGGNG-UHFFFAOYSA-N
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.
ChEBI Ontology
Outgoing Relation(s)
isoprocarb (CHEBI:38505) has functional parent 2-isopropylphenol (CHEBI:38506)
isoprocarb (CHEBI:38505) has functional parent methylcarbamic acid (CHEBI:45379)
isoprocarb (CHEBI:38505) has role agrochemical (CHEBI:33286)
isoprocarb (CHEBI:38505) has role carbamate insecticide (CHEBI:38461)
isoprocarb (CHEBI:38505) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
isoprocarb (CHEBI:38505) is a carbamate ester (CHEBI:23003)
IUPAC Name 
2-(propan-2-yl)phenyl methylcarbamate
Synonyms  Source
2-(1-Methylethyl)phenol methylcarbamateChemIDplus
2-(1-Methylethyl)phenyl methylcarbamateNIST Chemistry WebBook
2-isopropylphenyl methylcarbamateIUPAC
N-Methyl-2-isopropylphenylcarbamNIST Chemistry WebBook
o-Cumenyl methylcarbamateChemIDplus
o-Cumenyl N-methylcarbamateChemIDplus
UniProt Name  Source
isoprocarbUniProt
Manual XrefsDatabases
1184PPDB
C18418KEGG COMPOUND
Registry NumbersSources
Beilstein:1875020Beilstein
CAS:2631-40-5ChemIDplus
CAS:2631-40-5KEGG COMPOUND