pentamycin

naturalproductmech:mibig-8f6371287a 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REVIEWED records curator sign-off on identity, structure, filing class and producer claims; DEPRECATED retains a superseded or out-of-scope record.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 InChIKey	AGJUUQSLGVCRQA-PJEYIJQRSA-N
SMILES	CCCCC[C@H](C1[C@H](C[C@H](C[C@H](C[C@H](C[C@H](CC(C(C(/C(=C/C=C/C=C/C=C/C=C/[C@H](C(OC1=O)C)O)/C)O)O)O)O)O)O)O)O)O
Stereochemistry	undefined stereocentres — the InChIKey does not distinguish this compound from its stereoisomers
Cross-references	pubchem:60196306, CHEBI:31639, chembl:CHEMBL2272031

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 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
Streptomyces lavendulae strain YAKB-15 NCBITaxon:1914	BGC_CORRELATED	mibig:BGC0002789	DOI:10.1007/s00253-023-12672-4

Occurrences 0

None cited.

Biosynthetic gene clusters 1

Accession	Host	Locus evidence	Genome
mibig:BGC0002789	Streptomyces lavendulae strain YAKB-15 NCBITaxon:1914	CLUSTER_CORRELATED	genbank:SMSN01000006.1

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

Bioactivities 10

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

Assay	Result	Target enzyme	Source detail
Primary qHTS Assay for Inhibitors of Recombinant Selenoprotein Glutathione Peroxidase 4 (GPX4)	OTHER 22.3872 uM; NOT_DETERMINED	Not recorded	pubchem.aid:1845192 assay Primary qHTS Assay for Inhibitors of Recombinant Selenoprotein Glutathione Peroxidase 4 (GPX4) evidence reference pubchem.aid:1845192 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 1845192, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. call NOT_DETERMINED measurement type OTHER value 22.3872 units uM
Primary qHTS Assay for Inhibitors of Recombinant Selenoprotein Glutathione Peroxidase 4 (GPX4)	OTHER 22.3872 uM; NOT_DETERMINED	UniProtKB:P36969	pubchem.aid:1845192 assay Primary qHTS Assay for Inhibitors of Recombinant Selenoprotein Glutathione Peroxidase 4 (GPX4) evidence reference pubchem.aid:1845192 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 1845192, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. call NOT_DETERMINED measurement type OTHER value 22.3872 units uM target enzyme UniProtKB:P36969
Validation qHTS for agonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2)	OTHER 1.122 uM; INACTIVE	Not recorded	pubchem.aid:1645887 assay Validation qHTS for agonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2) evidence reference pubchem.aid:1645887 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 1645887, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency. call INACTIVE measurement type OTHER value 1.122 units uM
Validation qHTS for agonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2)	OTHER 1.122 uM; INACTIVE	UniProtKB:Q8WZA2	pubchem.aid:1645887 assay Validation qHTS for agonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2) evidence reference pubchem.aid:1645887 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 1645887, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency. call INACTIVE measurement type OTHER value 1.122 units uM target enzyme UniProtKB:Q8WZA2
Validation qHTS for antagonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2)	OTHER 3.1623 uM; INACTIVE	Not recorded	pubchem.aid:1645886 assay Validation qHTS for antagonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2) evidence reference pubchem.aid:1645886 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 1645886, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency. call INACTIVE measurement type OTHER value 3.1623 units uM
Validation qHTS for antagonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2)	OTHER 3.1623 uM; INACTIVE	UniProtKB:Q8WZA2	pubchem.aid:1645886 assay Validation qHTS for antagonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2) evidence reference pubchem.aid:1645886 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 1645886, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency. call INACTIVE measurement type OTHER value 3.1623 units uM target enzyme UniProtKB:Q8WZA2
qHTS assay to identify small molecule agonists of the estrogen receptor alpha (ER-alpha) signaling pathway	OTHER 15.089 uM; INACTIVE	Not recorded	pubchem.aid:743075 assay qHTS assay to identify small molecule agonists of the estrogen receptor alpha (ER-alpha) signaling pathway evidence reference pubchem.aid:743075 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 743075, deposited by 824; assay type Confirmatory. Source endpoint: Potency. Target accession AEP43755 was left ungrounded because PubChem did not provide a UniProtKB accession. call INACTIVE measurement type OTHER value 15.089 units uM
qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway	OTHER 0.0076 uM; NOT_DETERMINED	Not recorded	pubchem.aid:743035 assay qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway evidence reference pubchem.aid:743035 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 743035, deposited by 824; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession AAI32976 was left ungrounded because PubChem did not provide a UniProtKB accession. call NOT_DETERMINED measurement type OTHER value 0.0076 units uM
qHTS assay to identify small molecule antagonists of the thyroid receptor (TR) signaling pathway - cell viability counter screen	OTHER 0.266 uM; NOT_DETERMINED	Not recorded	pubchem.aid:743064 assay qHTS assay to identify small molecule antagonists of the thyroid receptor (TR) signaling pathway - cell viability counter screen evidence reference pubchem.aid:743064 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 743064, deposited by 824; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. call NOT_DETERMINED measurement type OTHER value 0.266 units uM
qHTS for Inhibitors of binding or entry into cells for Marburg Virus	OTHER 15.8489 uM; ACTIVE	Not 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 endpoint: Potency. Target accession B45705 was left ungrounded because PubChem did not provide a UniProtKB accession. call ACTIVE measurement type OTHER value 15.8489 units uM activity class ENZYME_INHIBITOR

Explore across X-Mech

AntibioticMech (pentamycin) ↗ MediaIngredientMech (naturalproductmech:mibig-8f6371287a) ↗ TaxonMech: Streptomyces lavendulae strain YAKB-15 (NCBITaxon:1914) ↗ PathwayMech (mibig:BGC0002789) ↗

Provenance

Source concept	Source	Version
BGC0002789	MIBIG	2

This page is generated from data/natural_products/polyketides/pentamycin.yaml, which is generated from the committed inventories. Neither is edited by hand.