pyrophen
naturalproductmech:mibig-5ba07fdfe2 MINTED SEEDED antibacterialenzyme inhibitor
Structure
| Standard InChIKey | VFMQMACUYWGDOJ-AWEZNQCLSA-N |
|---|---|
| SMILES | CC(=O)N[C@@H](CC1=CC=CC=C1)C2=CC(=CC(=O)O2)OC |
| Stereochemistry | fully defined |
| Cross-references | npatlas:NPA006435, pubchem:131349 |
Filing pathway
Polyketides — 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 2
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 niger ATCC 1015 NCBITaxon:380704 |
SOURCE_ASSERTION | mibig:BGC0002171 | DOI:10.1080/14786419.2018.1544982 |
| Aspergillus niger CBS 101883 NCBITaxon:1450533 |
SOURCE_ASSERTION | mibig:BGC0002275 | PMID:32159958 |
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 |
|---|---|---|
| Aspergillus niger NCBITaxon:5061 |
LOTUS | DOI:10.1021/NP9902892 |
| Aspergillus niger NCBITaxon:5061 |
LOTUS | DOI:10.1111/J.1399-3011.1990.TB00981.X |
Biosynthetic gene clusters 2
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0002171 | Aspergillus niger ATCC 1015 NCBITaxon:380704 |
CLUSTER_UNSTATED | genbank:ACJE01000002.1 |
| mibig:BGC0002275 | Aspergillus niger CBS 101883 NCBITaxon:1450533 |
CLUSTER_DEMONSTRATED | genbank:KZ821395.1 |
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 25
| Assay | Result | Reference |
|---|---|---|
| Confirmation qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1) | 15.8489 uM | pubchem.aid:2572 |
| Fluorescent Polarization Homogeneous Dose Response HTS to Indentify Inhibitors of Mex-5 Binding to TCR-2 | EC50 27.938 uM | pubchem.aid:1960 |
| Fluorescent Polarization Homogeneous Dose Response HTS to Indentify Inhibitors of POS-1 Binding to mex-3-RNA | EC50 38.668 uM | pubchem.aid:1964 |
| Inhibitors of DNA Polymerase Beta: Hit validation | 28.1838 uM | pubchem.aid:540280 |
| Luminescence-based Microorganism Dose Response HTS to Identify Inhibitors of E. Coli Growth | EC50 110 uM | pubchem.aid:1959 |
| Nrf2 qHTS screen for inhibitors | 20.5962 uM | pubchem.aid:504444 |
| Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation | 9.285 uM | pubchem.aid:504832 |
| Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation | 2.9362 uM | pubchem.aid:504834 |
| VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity | 11.2202 uM | pubchem.aid:2546 |
| qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide | 19.9526 uM | pubchem.aid:1766 |
| qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide | 19.9526 uM | pubchem.aid:1766 |
| qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide | 8.9125 uM | pubchem.aid:1768 |
| qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide | 8.9125 uM | pubchem.aid:1768 |
| qHTS Assay for Inhibitors of BAZ2B | 79.4328 uM | pubchem.aid:504333 |
| qHTS Assay for Inhibitors of DNA Polymerase Beta | 17.7828 uM | pubchem.aid:485314 |
| qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia | 19.9054 uM | pubchem.aid:2451 |
| qHTS Assay for Inhibitors of JMJD2A-Tudor Domain | 63.0957 uM | pubchem.aid:504339 |
| qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation | 50.1187 uM | pubchem.aid:540263 |
| qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation | 50.1187 uM | pubchem.aid:540263 |
| qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1) | 0.2512 uM | pubchem.aid:485290 |
| qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1) | 28.1838 uM | pubchem.aid:2517 |
| qHTS Assay for Lipid Storage Modulators in Drosophila S3 Cells | 14.581 uM | pubchem.aid:2685 |
| qHTS Assay for the Inhibitors of L3MBTL1 | 19.9526 uM | pubchem.aid:485360 |
| qHTS Assay for the Inhibitors of L3MBTL1: Hit Validation | 6.7016 uM | pubchem.aid:540279 |
| qHTS Assay for the Inhibitors of L3MBTL1: Hit Validationin AlphaScreen Counterscreen | 37.6858 uM | pubchem.aid:602224 |
Open questions 1
shared-structure — This structure is reported by more than one MIBiG entry: BGC0002171, BGC0002275. Confirm they describe the same compound rather than an upstream cross-reference error.
Provenance
| Source concept | Source | Version |
|---|---|---|
| BGC0002171 | MIBIG | 2 |
| BGC0002275 | MIBIG | 2 |
This page is generated from data/natural_products/polyketides/pyrophen.yaml, which is generated from the committed inventories. Neither is edited by hand.