Colletochlorin B

naturalproductmech:mibig-acacd19a98 MINTED SEEDED enzyme inhibitor

Grounding review: No 3-star ChEBI entry shares this structure, so the record keeps a content-hashed identifier.

What these status tags mean

Curation status describes a workflow state. SEEDED means the record entered through the source-seeding workflow; it does not imply that no later curation occurred. PROPOSED marks an addition awaiting review; REVIEWED records curator sign-off on identity, structure, filing class and producer claims; DEPRECATED retains a superseded or out-of-scope record. These are workflow decisions, not independently verified human review. Agent-assisted contributions may appear in the record history.

Grounding describes the identifier mapping: EXACT uses an ontology identity asserted by the source; MINTED keeps a local identifier when no defensible ontology identity is available; REVIEW_NEEDED flags an exact structure whose ontology identity needs adjudication. The grounding note retains any unresolved alternatives. These tags do not establish the strength of producer or activity evidence.

Structure

Standard InChIKey	UEUMAXMCCDEOIJ-XYOKQWHBSA-N
SMILES	CC1=C(C(=C(C(=C1Cl)O)C/C=C(\C)/CCC=C(C)C)O)C=O
Stereochemistry	fully defined
Cross-references	pubchem:6439644, chembl:CHEMBL4294528

Filing pathway

Unclassified — computed by NPClassifier npclassifier.gnps2.org@2026-09-07, which is why it is pinned rather than recomputed. The gene cluster's asserted class is pks, terpene, from MIBiG.

Producer organisms 1

A claim that this taxon makes the compound. The basis says what the evidence addressed — a knockout and a database assertion are not the same claim.

Taxon	Basis	Cluster	Evidence
Colletotrichum higginsianum IMI 349063 NCBITaxon:759273	BGC_CORRELATED	mibig:BGC0002812	DOI:10.1016/j.ymben.2023.10.002

Occurrences 2

Somebody found the compound in this organism and cited it. That is not a claim that the organism makes it, and nothing here promotes one to the other.

Taxon	Source	Reference
Neonectria ditissima NCBITaxon:78410	LOTUS	DOI:10.1021/JF051021L
Nigrosabulum globosum NCBITaxon:95328	LOTUS	DOI:10.1021/NP000547R

Biosynthetic gene clusters 1

Accession	Host	Locus evidence	Genome
mibig:BGC0002812	Colletotrichum higginsianum IMI 349063 NCBITaxon:759273	CLUSTER_CORRELATED	genbank:LTAN01000004.1

A locus claim and a taxon claim are different questions. Heterologous expression settles the first and leaves the second where the isolation report left it.

Mechanism & Biosynthesis Overview

Bioactivities 3

Entries preserve source qualifiers, targets and evidence. Repeated assay names or values are not independent replications; inspect source detail for differences.

Assay	Result	Target enzyme	Source detail
Experimentally measured binding affinity data (IC50) for protein-ligand complexes derived from PDB	IC50 0.0002 uM; ACTIVE	Not recorded	PMID:23487766 assay Experimentally measured binding affinity data (IC50) for protein-ligand complexes derived from PDB evidence reference PMID:23487766 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 977608, deposited by Shanghai Institute of Organic Chemistry; assay type Other. call ACTIVE measurement type IC50 value 0.0002 units uM activity class ENZYME_INHIBITOR
Inhibitory Effects on Recombinant AOX Protein from US Patent US11565996: "Compounds for use as inhibitors of alternative oxidase or cytochrome bc1 complex"	IC50 0.515 uM; ACTIVE	UniProtKB:P22185	pubchem.aid:1919245 assay Inhibitory Effects on Recombinant AOX Protein from US Patent US11565996: "Compounds for use as inhibitors of alternative oxidase or cytochrome bc1 complex" evidence reference pubchem.aid:1919245 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 1919245, deposited by BindingDB; assay type Confirmatory. call ACTIVE measurement type IC50 value 0.515 units uM target enzyme UniProtKB:P22185 activity class ENZYME_INHIBITOR
Inhibitory Effects on Recombinant AOX Protein from US Patent US11565996: "Compounds for use as inhibitors of alternative oxidase or cytochrome bc1 complex"	IC50 0.75 uM; ACTIVE	UniProtKB:P22185	pubchem.aid:1919245 assay Inhibitory Effects on Recombinant AOX Protein from US Patent US11565996: "Compounds for use as inhibitors of alternative oxidase or cytochrome bc1 complex" evidence reference pubchem.aid:1919245 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 1919245, deposited by BindingDB; assay type Confirmatory. call ACTIVE measurement type IC50 value 0.75 units uM target enzyme UniProtKB:P22185 activity class ENZYME_INHIBITOR

Explore across X-Mech

AntibioticMech (Colletochlorin B) ↗ MediaIngredientMech (naturalproductmech:mibig-acacd19a98) ↗ TaxonMech: Colletotrichum higginsianum IMI 349063 (NCBITaxon:759273) ↗ PathwayMech (mibig:BGC0002812) ↗

Provenance

Source concept	Source	Version
BGC0002812	MIBIG	2

This page is generated from data/natural_products/unclassified/colletochlorin-b.yaml, which is generated from the committed inventories. Neither is edited by hand.