AntibioticMech

diclocymet

CHEBI:81799 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A 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. — ChEBI

Classification

Strictly broader compounds or drug classes this molecule belongs to.

• CHEBI:60600 CHEBI:60600
• CHEBI:60915 CHEBI:60915

Chemical structure

Computed structure properties

Molecular formula	C15H18Cl2N2O
Charge	0
Average mass	313.228 Da
Monoisotopic mass	312.07962 Da
Source	ChEBI
InChIKey	YEJGPFZQLRMXOI-PKEIRNPWSA-N

SMILES

C[C@@H](NC(=O)C(C#N)C(C)(C)C)c1ccc(Cl)cc1Cl

InChI

InChI=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

Also called

• 2-cyano-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3,3-dimethylbutanamide (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

• cas:139920-32-4
• kegg.compound:C18518
• pesticides:diclocymet
• ppdb:2559
• reaxys:8422721

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

• CHEBI:24127 CHEBI:24127
• CHEBI:35718 CHEBI:35718
• CHEBI:86328 CHEBI:86328

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record

Source	Native ID	Label	Minted CURIE	Version
CHEBI	CHEBI:81799	diclocymet	antibioticmech:chebi-57864ecc4a	2026-08-30

Curation history

1. SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Seeded from data/raw/ inventories (CHEBI)

2. RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Re-seeded from updated data/raw/ inventories

3. RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.