diniconazole-M (CHEBI:83911)

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ChEBI Name	diniconazole-M

ChEBI ID	CHEBI:83911

Definition	A (1E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol that is the active R-enantiomer of diniconazole. A fungicide used to control a range of diseases including mildew, bunts and smuts.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C15H17Cl2N3O

Net Charge

Average Mass

326.22100

Monoisotopic Mass

325.07487

InChI

InChI=1S/C15H17Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-9,14,21H,1-3H3/b13-6+/t14-/m0/s1

InChIKey

FBOUIAKEJMZPQG-BLXFFLACSA-N

SMILES

CC(C)(C)[C@@H](O)C(=C/c1ccc(Cl)cc1Cl)\n1cncn1

Roles Classification
Biological Role(s):	antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties. EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor An EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor that interferes with the action of EC 1.14.13.70 (sterol 14alpha-demethylase). ergosterol biosynthesis inhibitor Any compound that inhibits one or more steps in the pathway leading to the synthesis of ergosterol. (via conazole antifungal agent ) antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. (via conazole antifungal agent ) fungicide A substance used to destroy fungal pests. (via conazole 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 conazole fungicide )

ChEBI Ontology
Outgoing	diniconazole-M (CHEBI:83911) has role antifungal agrochemical (CHEBI:86328) diniconazole-M (CHEBI:83911) has role EC 1.14.13.70 (sterol 14α-demethylase) inhibitor (CHEBI:77884) diniconazole-M (CHEBI:83911) is a (1E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol (CHEBI:83909) diniconazole-M (CHEBI:83911) is a conazole antifungal agent (CHEBI:86323) diniconazole-M (CHEBI:83911) is a conazole fungicide (CHEBI:87067) diniconazole-M (CHEBI:83911) is enantiomer of (S)-diniconazole (CHEBI:83906)

Incoming	diniconazole (CHEBI:81913) has part diniconazole-M (CHEBI:83911) (S)-diniconazole (CHEBI:83906) is enantiomer of diniconazole-M (CHEBI:83911)

IUPAC Name

(1E,3R)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol

Synonyms	Sources
(−)-diniconazole	ChEBI
(E)-(R)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol	Alan Wood's Pesticides
(R)-diniconazole	ChEBI
diniconazole (−)	ChemIDplus
R-(−)-diniconazole	ChEBI

Last Modified

19 November 2019