diethofencarb

CHEBI:4520 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

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. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

carbamate fungicidesARO:3009323

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:23003 CHEBI:23003
CHEBI:35618 CHEBI:35618
CHEBI:87066 CHEBI:87066
ARO:3009323 ARO:3009323

Chemical structure

Computed structure properties
Molecular formula	C14H21NO4
Charge	0
Average mass	267.325 Da
Monoisotopic mass	267.14706 Da
Source	ChEBI
InChIKey	LNJNFVJKDJYTEU-UHFFFAOYSA-N

SMILES

CCOc1ccc(NC(=O)OC(C)C)cc1OCC

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)

Also called

propan-2-yl (3,4-diethoxyphenyl)carbamate (EXACT_SYNONYM)— chebi
1-Methylethyl (3,4-diethoxyphenyl)carbamate (EXACT_SYNONYM)— chebi
1-methylethyl N-(3,4-diethoxyphenyl)carbamate (EXACT_SYNONYM)— chebi
Isopropyl 3,4-diethoxycarbanilate (EXACT_SYNONYM)— chebi
isopropyl (3,4-diethoxyphenyl)carbamate (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

ARO:3009179
cas:87130-20-9
kegg.compound:C11077
pesticides:diethofencarb
ppdb:228
reaxys:8393454
chembl:CHEMBL1880404
pubchem.compound:91742

Activity roles

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

CHEBI:24127 CHEBI:24127
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
ARO	`ARO:3009179`	diethofencarb	`antibioticmech:aro-03e17c5a12`	2026-08-30
CHEBI	`CHEBI:4520`	diethofencarb	`antibioticmech:chebi-414cb8d95c`	2026-08-30

Resistance mechanisms

1 known routes by which microbes resist this compound, grounded in ARO where CARD models them. Grouped by mechanism type — expand a group to see its determinants.

ANTIBIOTIC_TARGET_ALTERATION 1

ANTIBIOTIC_TARGET_ALTERATION
Determinant	ARO ID	Organism	Gene families	Evidence
botrytis cinerea beta-tubulin with mutations conferring resistance against diethofencarb	ARO:3009324	not organism-specific	—	ARO:3009324 (CARD/ARO asserts confers_resistance_to_antibiotic ARO:3009179 (diethofencarb); database assertion, not a primary citation.)

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (ARO, CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
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.