NaturalProductMech

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penitrem A

naturalproductmech:mibig-5942c19a89 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REVIEWED records curator sign-off on identity, structure, filing class and producer claims; DEPRECATED retains a superseded or out-of-scope record.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 InChIKeyJDUWHZOLEDOQSR-JKPSMKLGSA-N
SMILESCC(=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
Stereochemistryfully defined
Cross-referencespubchem: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.

TaxonBasisClusterEvidence
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.

TaxonSourceReference
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

AccessionHostLocus evidenceGenome
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.

Mechanism & Biosynthesis Overview

PRODUCERS & OCCURRENCE 1 producer (0 causal) 22 cited occurrences BIOSYNTHETIC LOCUS 1 gene cluster 0 curated pathway steps NATURAL PRODUCT penitrem A naturalproductmech:mibig-5942c19a89 Unclassified TARGETS & BIOACTIVITY 0 molecular targets 22 bioactivities · 0 graphs

Bioactivities 22

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

AssayResultTarget enzymeSource detail
Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence PolarizationOTHER 39.8107 uM; NOT_DETERMINEDNot recorded
pubchem.aid:1463
assay
Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization
evidence
  • reference
    pubchem.aid:1463
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1463, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
39.8107
units
uM
Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTSOTHER 0.8437 uM; NOT_DETERMINEDNot recorded
pubchem.aid:504845
assay
Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS
evidence
  • reference
    pubchem.aid:504845
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 504845, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession ABC94591 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
0.8437
units
uM
Primary fluorescence-based thiol-reactive (MSTI) qHTS assay for identification of artifact compounds.OTHER 6.3 uM; ACTIVENot recorded
pubchem.aid:1845221
assay
Primary fluorescence-based thiol-reactive (MSTI) qHTS assay for identification of artifact compounds.
evidence
  • reference
    pubchem.aid:1845221
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1845221, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
6.3
units
uM
Primary qHTS for inhibitors of nuclear receptor binding SET domain protein 2 (NSD2) in an RCH-ACV wild type WT cells (2C)OTHER 6.0756 uM; NOT_DETERMINEDNot recorded
pubchem.aid:1645877
assay
Primary qHTS for inhibitors of nuclear receptor binding SET domain protein 2 (NSD2) in an RCH-ACV wild type WT cells (2C)
evidence
  • reference
    pubchem.aid:1645877
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1645877, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
6.0756
units
uM
Primary qHTS for inhibitors of nuclear receptor binding SET domain protein 2 (NSD2) in an RCH-ACV wild type WT cells (2C)OTHER 6.0756 uM; NOT_DETERMINEDUniProtKB:O96028
pubchem.aid:1645877
assay
Primary qHTS for inhibitors of nuclear receptor binding SET domain protein 2 (NSD2) in an RCH-ACV wild type WT cells (2C)
evidence
  • reference
    pubchem.aid:1645877
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1645877, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
6.0756
units
uM
target enzyme
UniProtKB:O96028
Primary qHTS for inhibitors of nuclear receptor binding SET domain protein 2 (NSD2) in an isogenic RCH-ACV NSD2 p.E1099K mutant (9B)OTHER 5.4149 uM; NOT_DETERMINEDNot recorded
pubchem.aid:1645876
assay
Primary qHTS for inhibitors of nuclear receptor binding SET domain protein 2 (NSD2) in an isogenic RCH-ACV NSD2 p.E1099K mutant (9B)
evidence
  • reference
    pubchem.aid:1645876
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1645876, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
5.4149
units
uM
Primary qHTS for inhibitors of nuclear receptor binding SET domain protein 2 (NSD2) in an isogenic RCH-ACV NSD2 p.E1099K mutant (9B)OTHER 5.4149 uM; NOT_DETERMINEDUniProtKB:O96028
pubchem.aid:1645876
assay
Primary qHTS for inhibitors of nuclear receptor binding SET domain protein 2 (NSD2) in an isogenic RCH-ACV NSD2 p.E1099K mutant (9B)
evidence
  • reference
    pubchem.aid:1645876
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1645876, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
5.4149
units
uM
target enzyme
UniProtKB:O96028
Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assayOTHER 10 uM; NOT_DETERMINEDNot recorded
PMID:33910017
assay
Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay
evidence
  • reference
    PMID:33910017
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1508630, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
10.0
units
uM
Primary qHTS to identify anti-liver cancer compounds using libraries of approved drugs and bioactive compoundsOTHER 3.5481 uM; NOT_DETERMINEDNot recorded
pubchem.aid:2202548
assay
Primary qHTS to identify anti-liver cancer compounds using libraries of approved drugs and bioactive compounds
evidence
  • reference
    pubchem.aid:2202548
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 2202548, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
3.5481
units
uM
Quantitative High-Throughput Screen for Regulators of Epigenetic ControlOTHER 35.4813 uM; NOT_DETERMINEDNot recorded
pubchem.aid:1865
assay
Quantitative High-Throughput Screen for Regulators of Epigenetic Control
evidence
  • reference
    pubchem.aid:1865
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1865, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
35.4813
units
uM
Viability qHTS for spleen associated tyrosine kinase inhibitor (SYKi) drug resistant MV4-11 cellsOTHER 6.1057 uM; NOT_DETERMINEDNot recorded
pubchem.aid:1963824
assay
Viability qHTS for spleen associated tyrosine kinase inhibitor (SYKi) drug resistant MV4-11 cells
evidence
  • reference
    pubchem.aid:1963824
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1963824, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
6.1057
units
uM
Viability qHTS for spleen associated tyrosine kinase inhibitor (SYKi) drug resistant MV4-11 cellsOTHER 6.1057 uM; NOT_DETERMINEDUniProtKB:P43405
pubchem.aid:1963824
assay
Viability qHTS for spleen associated tyrosine kinase inhibitor (SYKi) drug resistant MV4-11 cells
evidence
  • reference
    pubchem.aid:1963824
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1963824, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
6.1057
units
uM
target enzyme
UniProtKB:P43405
Viability qHTS for spleen associated tyrosine kinase inhibitor (SYKi) naive MV4-11 cellsOTHER 8.6245 uM; NOT_DETERMINEDNot recorded
pubchem.aid:1963823
assay
Viability qHTS for spleen associated tyrosine kinase inhibitor (SYKi) naive MV4-11 cells
evidence
  • reference
    pubchem.aid:1963823
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1963823, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
8.6245
units
uM
Viability qHTS for spleen associated tyrosine kinase inhibitor (SYKi) naive MV4-11 cellsOTHER 8.6245 uM; NOT_DETERMINEDUniProtKB:P43405
pubchem.aid:1963823
assay
Viability qHTS for spleen associated tyrosine kinase inhibitor (SYKi) naive MV4-11 cells
evidence
  • reference
    pubchem.aid:1963823
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1963823, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
8.6245
units
uM
target enzyme
UniProtKB:P43405
qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid LeukemiaOTHER 39.8107 uM; NOT_DETERMINEDNot recorded
pubchem.aid:1477
assay
qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia
evidence
  • reference
    pubchem.aid:1477
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 1477, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency.
call
NOT_DETERMINED
measurement type
OTHER
value
39.8107
units
uM
qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1)OTHER 44.6684 uM; NOT_DETERMINEDNot recorded
pubchem.aid:2517
assay
qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1)
evidence
  • reference
    pubchem.aid:2517
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 2517, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession 1DE9_A was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
44.6684
units
uM
qHTS for Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in Human Glioma: qHTSOTHER 25.1189 uM; NOT_DETERMINEDNot recorded
pubchem.aid:602332
assay
qHTS for Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in Human Glioma: qHTS
evidence
  • reference
    pubchem.aid:602332
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 602332, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession CAQ08732 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
25.1189
units
uM
qHTS for Inhibitors of binding or entry into cells for Lassa VirusOTHER 25.1189 uM; ACTIVENot recorded
pubchem.aid:720533
assay
qHTS for Inhibitors of binding or entry into cells for Lassa Virus
evidence
  • reference
    pubchem.aid:720533
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 720533, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency.
call
ACTIVE
measurement type
OTHER
value
25.1189
units
uM
activity class
ENZYME_INHIBITOR
qHTS for Inhibitors of binding or entry into cells for Marburg VirusOTHER 12.5893 uM; NOT_DETERMINEDNot recorded
pubchem.aid:720532
assay
qHTS for Inhibitors of binding or entry into cells for Marburg Virus
evidence
  • reference
    pubchem.aid:720532
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 720532, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession B45705 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
12.5893
units
uM
qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in absence of CPTOTHER 12.3261 uM; ACTIVENot recorded
pubchem.aid:686978
assay
qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in absence of CPT
evidence
  • reference
    pubchem.aid:686978
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 686978, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency. Target accession AAI07878 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
ACTIVE
measurement type
OTHER
value
12.3261
units
uM
activity class
ENZYME_INHIBITOR
qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in presence of CPTOTHER 21.9193 uM; NOT_DETERMINEDNot recorded
pubchem.aid:686979
assay
qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in presence of CPT
evidence
  • reference
    pubchem.aid:686979
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 686979, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession AAI07878 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
NOT_DETERMINED
measurement type
OTHER
value
21.9193
units
uM
Luminescence Cell-Based Primary HTS to Identify Inhibitors of STK33ACTIVENot recorded
pubchem.aid:2330
assay
Luminescence Cell-Based Primary HTS to Identify Inhibitors of STK33
evidence
  • reference
    pubchem.aid:2330
    evidence type
    DATABASE_ASSERTION
    notes
    PubChem BioAssay AID 2330, deposited by Broad Institute; assay type Screening. Target accession CAC29064 was left ungrounded because PubChem did not provide a UniProtKB accession.
call
ACTIVE
activity class
ENZYME_INHIBITOR

Explore across X-Mech

AntibioticMech (penitrem A) ↗ MediaIngredientMech (naturalproductmech:mibig-5942c19a89) ↗ TaxonMech: Penicillium simplicissimum (NCBITaxon:69488) ↗ PathwayMech (mibig:BGC0001375) ↗

Provenance

Source conceptSourceVersion
BGC0001375MIBIG4

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