penitrem A
naturalproductmech:mibig-5942c19a89 MINTED SEEDED cytotoxicenzyme inhibitor
Structure
| Standard InChIKey | JDUWHZOLEDOQSR-JKPSMKLGSA-N |
|---|---|
| SMILES | CC(=C)[C@@H]1[C@@H]([C@@H]2[C@@]3(O2)[C@@H](O1)CC[C@]4([C@]3(CC[C@@H]5[C@@]4(C6=C7[C@H]5OC([C@H]8C[C@H]9[C@@]8(C1=C7C(=CC(=C1CC9=C)Cl)N6)O)(C)C)C)O)C)O |
| Stereochemistry | fully defined |
| Cross-references | pubchem:6610243 |
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 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 |
|---|---|---|---|
| Penicillium simplicissimum NCBITaxon:69488 |
SOURCE_ASSERTION | mibig:BGC0001375 | DOI:10.1021/jf020983e |
Occurrences 22
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 |
|---|---|---|
| Penicillium janczewskii NCBITaxon:121612 |
LOTUS | DOI:10.1128/AEM.51.4.821-824.1986 |
| Mucor irregularis NCBITaxon:1290454 |
LOTUS | DOI:10.1021/ACS.JNATPROD.6B00403 |
| Penicillium crustosum NCBITaxon:36656 |
LOTUS | DOI:10.1016/0168-1605(88)90067-0 |
| Penicillium crustosum NCBITaxon:36656 |
LOTUS | DOI:10.1021/JF020983E |
| Penicillium crustosum NCBITaxon:36656 |
LOTUS | DOI:10.1039/P19830001847 |
| Penicillium crustosum NCBITaxon:36656 |
LOTUS | DOI:10.1039/P19830001857 |
| Penicillium crustosum NCBITaxon:36656 |
LOTUS | DOI:10.1039/P19830001863 |
| Penicillium crustosum NCBITaxon:36656 |
LOTUS | DOI:10.1128/AEM.51.4.821-824.1986 |
| Penicillium novae-zeelandiae NCBITaxon:434487 |
LOTUS | DOI:10.1128/AEM.51.4.821-824.1986 |
| Penicillium NCBITaxon:5073 |
LOTUS | DOI:10.1039/P19950001121 |
| Penicillium janthinellum NCBITaxon:5079 |
LOTUS | DOI:10.1128/AEM.51.4.821-824.1986 |
| Penicillium canescens NCBITaxon:5083 |
LOTUS | DOI:10.1128/AEM.51.4.821-824.1986 |
| Penicillium ianthinellum NCBITaxon:545233 |
LOTUS | DOI:10.1128/AEM.51.4.821-824.1986 |
| Penicillium verrucosum NCBITaxon:60171 |
LOTUS | DOI:10.1021/NP50109A017 |
| Penicillium solitum NCBITaxon:60172 |
LOTUS | DOI:10.1016/0168-1605(88)90067-0 |
| Penicillium solitum NCBITaxon:60172 |
LOTUS | DOI:10.1021/JF020983E |
| Penicillium solitum NCBITaxon:60172 |
LOTUS | DOI:10.1039/P19830001847 |
| Penicillium solitum NCBITaxon:60172 |
LOTUS | DOI:10.1039/P19830001857 |
| Penicillium solitum NCBITaxon:60172 |
LOTUS | DOI:10.1039/P19830001863 |
| Penicillium solitum NCBITaxon:60172 |
LOTUS | DOI:10.1128/AEM.51.4.821-824.1986 |
| Penicillium melinii NCBITaxon:69779 |
LOTUS | DOI:10.1128/AEM.51.4.821-824.1986 |
| Penicillium simplicissimum NCBITaxon:69488 |
LOTUS | DOI:10.1128/AEM.51.4.821-824.1986 |
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0001375 | Penicillium simplicissimum NCBITaxon:69488 |
CLUSTER_UNSTATED | genbank:LC027937.1 |
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 22
| Assay | Result | Reference |
|---|---|---|
| Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization | 39.8107 uM | pubchem.aid:1463 |
| Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS | 0.8437 uM | pubchem.aid:504845 |
| Primary fluorescence-based thiol-reactive (MSTI) qHTS assay for identification of artifact compounds. | 6.3 uM | pubchem.aid:1845221 |
| Primary qHTS for inhibitors of nuclear receptor binding SET domain protein 2 (NSD2) in an RCH-ACV wild type WT cells (2C) | 6.0756 uM | pubchem.aid:1645877 |
| Primary qHTS for inhibitors of nuclear receptor binding SET domain protein 2 (NSD2) in an RCH-ACV wild type WT cells (2C) | 6.0756 uM | pubchem.aid:1645877 |
| Primary qHTS for inhibitors of nuclear receptor binding SET domain protein 2 (NSD2) in an isogenic RCH-ACV NSD2 p.E1099K mutant (9B) | 5.4149 uM | pubchem.aid:1645876 |
| Primary qHTS for inhibitors of nuclear receptor binding SET domain protein 2 (NSD2) in an isogenic RCH-ACV NSD2 p.E1099K mutant (9B) | 5.4149 uM | pubchem.aid:1645876 |
| Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay | 10 uM | PMID:33910017 |
| Primary qHTS to identify anti-liver cancer compounds using libraries of approved drugs and bioactive compounds | 3.5481 uM | pubchem.aid:2202548 |
| Quantitative High-Throughput Screen for Regulators of Epigenetic Control | 35.4813 uM | pubchem.aid:1865 |
| Viability qHTS for spleen associated tyrosine kinase inhibitor (SYKi) drug resistant MV4-11 cells | 6.1057 uM | pubchem.aid:1963824 |
| Viability qHTS for spleen associated tyrosine kinase inhibitor (SYKi) drug resistant MV4-11 cells | 6.1057 uM | pubchem.aid:1963824 |
| Viability qHTS for spleen associated tyrosine kinase inhibitor (SYKi) naive MV4-11 cells | 8.6245 uM | pubchem.aid:1963823 |
| Viability qHTS for spleen associated tyrosine kinase inhibitor (SYKi) naive MV4-11 cells | 8.6245 uM | pubchem.aid:1963823 |
| qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia | 39.8107 uM | pubchem.aid:1477 |
| qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1) | 44.6684 uM | pubchem.aid:2517 |
| qHTS for Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in Human Glioma: qHTS | 25.1189 uM | pubchem.aid:602332 |
| qHTS for Inhibitors of binding or entry into cells for Lassa Virus | 25.1189 uM | pubchem.aid:720533 |
| qHTS for Inhibitors of binding or entry into cells for Marburg Virus | 12.5893 uM | pubchem.aid:720532 |
| qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in absence of CPT | 12.3261 uM | pubchem.aid:686978 |
| qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in presence of CPT | 21.9193 uM | pubchem.aid:686979 |
| Luminescence Cell-Based Primary HTS to Identify Inhibitors of STK33 | ACTIVE | pubchem.aid:2330 |
Provenance
| Source concept | Source | Version |
|---|---|---|
| BGC0001375 | MIBIG | 4 |
This page is generated from data/natural_products/unclassified/penitrem-a.yaml, which is generated from the committed inventories. Neither is edited by hand.