Colletochlorin B
naturalproductmech:mibig-acacd19a98 MINTED SEEDED enzyme inhibitor
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.
Bioactivities 3
| Assay | Result | Reference |
|---|---|---|
| Experimentally measured binding affinity data (IC50) for protein-ligand complexes derived from PDB | IC50 0.0002 uM | PMID:23487766 |
| 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 | pubchem.aid:1919245 |
| 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 | pubchem.aid:1919245 |
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.