dimethomorph (CHEBI:81848)

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CHEBI:81848 - dimethomorph

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ChEBI ID	CHEBI:81848
ChEBI Name	dimethomorph
Stars
Definition	A mixture of (E)- and (Z)-dimethomorph in an unspecified ratio. It is used as a systemic fungicide used on vines, potatoes, and greenhouse crops; only the Z isomer has fungicidal activity.
Last Modified	24 July 2015
Downloads	Molfile

Formula	C21H22ClNO4
Net Charge	0
Average Mass	387.863
Monoisotopic Mass	387.12374
SMILES	[H]C(C(=O)N1CCOCC1)=C(c1ccc(Cl)cc1)c1ccc(OC)c(OC)c1
InChI	InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3
InChIKey	QNBTYORWCCMPQP-UHFFFAOYSA-N

Roles Classification

Chemical Role:	environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Roles:	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. antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties. 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:	antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties. fungicide A substance used to destroy fungal pests.

ChEBI Ontology

Outgoing Relation(s)
	dimethomorph (CHEBI:81848) has part (E)-dimethomorph (CHEBI:83426)
	dimethomorph (CHEBI:81848) has part (Z)-dimethomorph (CHEBI:83427)
	dimethomorph (CHEBI:81848) has role antifungal agrochemical (CHEBI:86328)
	dimethomorph (CHEBI:81848) has role environmental contaminant (CHEBI:78298)
	dimethomorph (CHEBI:81848) has role xenobiotic (CHEBI:35703)
	dimethomorph (CHEBI:81848) is a mixture (CHEBI:60004)
	dimethomorph (CHEBI:81848) is a morpholine fungicide (CHEBI:87134)

IUPAC Name
(2Ξ)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(morpholin-4-yl)prop-2-en-1-one

Synonym	Source
4-(3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)morpholine	ChemIDplus

Manual Xrefs	Databases
C18583	KEGG COMPOUND
dimethomorph	Alan Wood's Pesticides
EP294907	Patent
US4933449	Patent
245	PPDB

Registry Numbers	Sources
Reaxys:8396839	Reaxys
CAS:110488-70-5	KEGG COMPOUND
CAS:110488-70-5	ChemIDplus

Citations