4,6-dinitro-o-cresol

CHEBI:39349 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A hydroxytoluene that is o-cresol carrying nitro substituents at positions 4 and 6. — 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

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:24751 CHEBI:24751
CHEBI:25566 CHEBI:25566
CHEBI:39363 CHEBI:39363

Chemical structure

Computed structure properties
Molecular formula	C7H6N2O5
Charge	0
Average mass	198.134 Da
Monoisotopic mass	198.02767 Da
Source	ChEBI
InChIKey	ZXVONLUNISGICL-UHFFFAOYSA-N

SMILES

Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O

InChI

InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3

Also called

2-methyl-4,6-dinitrophenol (EXACT_SYNONYM)— chebi
2,4-Dinitro-6-methylphenol (EXACT_SYNONYM)— chebi
3,5-dinitro-2-hydroxytoluene (EXACT_SYNONYM)— chebi
4,6-Dinitro-o-cresol (EXACT_SYNONYM)— chebi
6-methyl-2,4-dinitrophenol (EXACT_SYNONYM)— chebi
Antinonnin (EXACT_SYNONYM)— chebi
DNOC (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:534-52-1
kegg.compound:C18653
ppdb:261
reaxys:2054389

Activity roles

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

CHEBI:24127 CHEBI:24127

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:39349`	4,6-dinitro-o-cresol	`antibioticmech:chebi-a0dfe1a4cd`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (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.