CHEBI:4520 - diethofencarb

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name diethofencarb
ChEBI ID CHEBI:4520
Definition A carbamate ester that is the isopropyl ester of (3,4-diethoxyphenyl)carbamic acid. A fungicide with strong activity against Botrytis cinerea and benzimidazole-resistant strains of Botryis spp.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C14H21NO4
Net Charge 0
Average Mass 267.32080
Monoisotopic Mass 267.147
InChI InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)
InChIKey LNJNFVJKDJYTEU-UHFFFAOYSA-N
SMILES CCOc1ccc(NC(=O)OC(C)C)cc1OCC
Roles Classification
Biological Role(s): antifungal agrochemical
Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide
A substance used to destroy fungal pests.
(via carbanilate fungicide )
(via carbamate fungicide )
Application(s): antifungal agrochemical
Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide
A substance used to destroy fungal pests.
(via carbanilate fungicide )
(via carbamate fungicide )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing diethofencarb (CHEBI:4520) has functional parent aniline (CHEBI:17296)
diethofencarb (CHEBI:4520) has role antifungal agrochemical (CHEBI:86328)
diethofencarb (CHEBI:4520) is a aromatic ether (CHEBI:35618)
diethofencarb (CHEBI:4520) is a carbamate ester (CHEBI:23003)
diethofencarb (CHEBI:4520) is a carbanilate fungicide (CHEBI:87066)
IUPAC Name
propan-2-yl (3,4-diethoxyphenyl)carbamate
Synonyms Sources
1-Methylethyl (3,4-diethoxyphenyl)carbamate ChemIDplus
1-methylethyl N-(3,4-diethoxyphenyl)carbamate Alan Wood's Pesticides
isopropyl (3,4-diethoxyphenyl)carbamate IUPAC
Isopropyl 3,4-diethoxycarbanilate ChemIDplus
Manual Xrefs Databases
228 PPDB
C11077 KEGG COMPOUND
diethofencarb Alan Wood's Pesticides
View more database links
Registry Numbers Types Sources
8393454 Reaxys Registry Number Reaxys
87130-20-9 CAS Registry Number KEGG COMPOUND
87130-20-9 CAS Registry Number ChemIDplus
87130-20-9 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
21174194 PubMed citation Europe PMC
21763813 PubMed citation Europe PMC
22921656 PubMed citation Europe PMC
23404952 PubMed citation Europe PMC
23597988 PubMed citation Europe PMC
23760810 PubMed citation Europe PMC
24679760 PubMed citation Europe PMC
24817605 PubMed citation Europe PMC
24861738 PubMed citation Europe PMC
24973804 PubMed citation Europe PMC
Last Modified
22 July 2015