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CHEBI:81799 - diclocymet

ChEBI IDCHEBI:81799
ChEBI Namediclocymet
Stars
DefinitionA diastereoisomeric mixture comprising equimolar amounts of (1R,2S)- and (1R,2R)-diclocymet. A fungicide used for the control of rice blast in paddy fields. It also shows some activity against paddy field insect pests including rice water weevil and rice-stem borer. Diclocymet is moderately toxic to fish.
Last Modified7 July 2015
DownloadsMolfile
FormulaC15H18Cl2N2O
Net Charge0
Average Mass313.228
Monoisotopic Mass312.07962
SMILESC[C@@H](NC(=O)C(C#N)C(C)(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H18Cl2N2O/c1-9(11-6-5-10(16)7-13(11)17)19-14(20)12(8-18)15(2,3)4/h5-7,9,12H,1-4H3,(H,19,20)/t9-,12?/m1/s1
InChIKeyYEJGPFZQLRMXOI-PKEIRNPWSA-N
Roles Classification
Biological Roles:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
fungicide  A substance used to destroy fungal pests.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
Applications:
melanin synthesis inhibitor  A depigmentation agent which inhibits the synthesis of melanin.
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
insecticide  Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
fungicide  A substance used to destroy fungal pests.
ChEBI Ontology
Outgoing Relation(s)
diclocymet (CHEBI:81799) has part (1R,2R)-diclocymet (CHEBI:84015)
diclocymet (CHEBI:81799) has part (1R,2S)-diclocymet (CHEBI:84014)
diclocymet (CHEBI:81799) has role antifungal agrochemical (CHEBI:86328)
diclocymet (CHEBI:81799) has role insecticide (CHEBI:24852)
diclocymet (CHEBI:81799) has role melanin synthesis inhibitor (CHEBI:64933)
diclocymet (CHEBI:81799) has role xenobiotic (CHEBI:35703)
diclocymet (CHEBI:81799) is a amide fungicide (CHEBI:60600)
diclocymet (CHEBI:81799) is a diastereoisomeric mixture (CHEBI:60915)
IUPAC Name 
2-cyano-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3,3-dimethylbutanamide
Manual XrefsDatabases
C18518KEGG COMPOUND
diclocymetAlan Wood's Pesticides
2559PPDB
Registry NumbersSources
Reaxys:8422721Reaxys
CAS:139920-32-4KEGG COMPOUND
CAS:139920-32-4ChemIDplus