pentachlorophenol

CHEBI:17642 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A chlorophenol that is phenol substituted by 5 chloro groups. — 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.

Label unavailable CHEBI:23150
Label unavailable CHEBI:38656
Label unavailable CHEBI:83390
aromatic fungicide CHEBI:87034

Chemical structure

Computed structure properties
Molecular formula	C6HCl5O
Charge	0
Average mass	266.338 Da
Monoisotopic mass	263.847 Da
Source	ChEBI
InChIKey	IZUPBVBPLAPZRR-UHFFFAOYSA-N

SMILES

Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

InChI

InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H

Also called

2,3,4,5,6-pentachlorophenol (EXACT_SYNONYM)— chebi
PCP (EXACT_SYNONYM)— chebi
PENTACHLOROPHENOL (EXACT_SYNONYM)— chebi
Pentachlorophenol (EXACT_SYNONYM)— chebi

Cross-references

Identifiers for this same structure in other resources. An accession that lands on two different structures in this corpus is withheld from both rather than shown here, since it names at most one of them.

Patents and articles

Documents about this compound. A patent covers a class and an article covers a topic; neither identifies a structure.

wikipedia.en:Pentachlorophenol

Activity roles

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

fungicide 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:17642`	pentachlorophenol	`antibioticmech:chebi-945b0f7724`	2026-08-30

Molecular targets

The molecular entity or process this compound acts on. Each target carries evidence — this is a mechanistic claim, not a classification.

Pentachlorophenol 4-monooxygenase PROTEIN DIRECT_BINDING_TARGET

BindingDB quantitative measurement in the named target organism; source assay descriptions and identifiers are retained per measurement. Evidence status: PRIMARY_EVIDENCE. Source: BINDINGDB 2026-09 (retrieved 2026-08-31).

Sphingobium chlorophenolicum NCBITaxon:46429

Quantitative measurements
Type	Reported value	Assay	BindingDB IDs	Reference
KD	<50 nM	Spectroscopic Assay Formation of the hydroxylated product and depletion of NADPH were measured following ethyl acetate extraction of the reaction mixture.	`RSID 201225` `assay 5706_1` `monomer 92749`	`PMID:22482720`

Organism-specific examples
Protein	Gene	Organism	Entry
Pentachlorophenol 4-monooxygenase `UniProtKB:P42535` BindingDB target chain 1	—	Sphingobium chlorophenolicum `NCBITaxon:46429`	REVIEWED

PMID:22482720 (BindingDB literature-curated quantitative target measurement; source value, assay text, reaction-set ID, and target organism retained.)

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
RESEEDED_FROM_SOURCES 2026-08-31 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-09-10 · 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 (YAML).

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