pseurotin
naturalproductmech:mibig-e630fe39e9 MINTED SEEDED cytotoxicenzyme inhibitor
Structure
| Standard InChIKey | SLYDIPAXCVVRNY-BBJHAQHQSA-N |
|---|---|
| SMILES | CC\C=C/[C@H](O)[C@H](O)C1=C(C)C(=O)[C@@]2(O1)C(O)[C@](NC2=O)(OC)C(=O)C1=CC=CC=C1 |
| Stereochemistry | undefined stereocentres — the InChIKey does not distinguish this compound from its stereoisomers |
| Cross-references | npatlas:NPA03544, pubchem:9845622 |
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 nrps, pks, 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 |
|---|---|---|---|
| Aspergillus fumigatus Af293 NCBITaxon:330879 |
BGC_CHARACTERIZED | mibig:BGC0001037 | PMID:25494235 |
Occurrences 1
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 |
|---|---|---|
| Pseudeurotium ovale NCBITaxon:205927 |
LOTUS | DOI:10.1002/HLCA.19760590114 |
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0001037 | Aspergillus fumigatus Af293 NCBITaxon:330879 |
CLUSTER_DEMONSTRATED | genbank:CM000176.1 |
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 |
|---|---|---|
| Primary fluorescence-based thiol-reactive (MSTI) qHTS assay for identification of artifact compounds. | 11.6129 uM | pubchem.aid:1845221 |
| Primary qHTS to identify anti-liver cancer compounds using libraries of approved drugs and bioactive compounds | 12.5893 uM | pubchem.aid:2202548 |
| qHTS for Inhibitors of the Aldehyde Dehydrogenase Family (ALDH3A1) Primary screen | ACTIVE | pubchem.aid:2202377 |
Provenance
| Source concept | Source | Version |
|---|---|---|
| BGC0001037 | MIBIG | 5 |
This page is generated from data/natural_products/unclassified/pseurotin.yaml, which is generated from the committed inventories. Neither is edited by hand.