pyrophen

naturalproductmech:mibig-5ba07fdfe2 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REVIEWED records curator sign-off on identity, structure, filing class and producer claims; DEPRECATED retains a superseded or out-of-scope record.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	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.

Mechanism & Biosynthesis Overview

Bioactivities 25

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

Explore across X-Mech

AntibioticMech (pyrophen) ↗ MediaIngredientMech (naturalproductmech:mibig-5ba07fdfe2) ↗ TaxonMech: Aspergillus niger ATCC 1015 (NCBITaxon:380704) ↗ TaxonMech: Aspergillus niger CBS 101883 (NCBITaxon:1450533) ↗ PathwayMech (mibig:BGC0002171) ↗ PathwayMech (mibig:BGC0002275) ↗

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.

Assay	Result	Target enzyme	Source detail
Confirmation qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1)	OTHER 15.8489 uM; NOT_DETERMINED	Not recorded	pubchem.aid:2572 assay Confirmation qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1) evidence reference pubchem.aid:2572 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 2572, 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 15.8489 units uM
Fluorescent Polarization Homogeneous Dose Response HTS to Indentify Inhibitors of Mex-5 Binding to TCR-2	EC50 27.938 uM; ACTIVE	UniProtKB:Q9XUB2	pubchem.aid:1960 assay Fluorescent Polarization Homogeneous Dose Response HTS to Indentify Inhibitors of Mex-5 Binding to TCR-2 evidence reference pubchem.aid:1960 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 1960, deposited by Broad Institute; assay type Confirmatory. call ACTIVE measurement type EC50 value 27.938 units uM target enzyme UniProtKB:Q9XUB2 activity class ENZYME_INHIBITOR
Fluorescent Polarization Homogeneous Dose Response HTS to Indentify Inhibitors of POS-1 Binding to mex-3-RNA	EC50 38.668 uM; ACTIVE	Not recorded	pubchem.aid:1964 assay Fluorescent Polarization Homogeneous Dose Response HTS to Indentify Inhibitors of POS-1 Binding to mex-3-RNA evidence reference pubchem.aid:1964 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 1964, deposited by Broad Institute; assay type Confirmatory. Target accession NP_505172 was left ungrounded because PubChem did not provide a UniProtKB accession. call ACTIVE measurement type EC50 value 38.668 units uM activity class ENZYME_INHIBITOR
Inhibitors of DNA Polymerase Beta: Hit validation	OTHER 28.1838 uM; ACTIVE	Not recorded	pubchem.aid:540280 assay Inhibitors of DNA Polymerase Beta: Hit validation evidence reference pubchem.aid:540280 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 540280, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency. Target accession NP_002681 was left ungrounded because PubChem did not provide a UniProtKB accession. call ACTIVE measurement type OTHER value 28.1838 units uM activity class ENZYME_INHIBITOR
Luminescence-based Microorganism Dose Response HTS to Identify Inhibitors of E. Coli Growth	EC50 110 uM; INACTIVE	Not recorded	pubchem.aid:1959 assay Luminescence-based Microorganism Dose Response HTS to Identify Inhibitors of E. Coli Growth evidence reference pubchem.aid:1959 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 1959, deposited by Broad Institute; assay type Confirmatory. call INACTIVE measurement type EC50 value 110.0 units uM
Nrf2 qHTS screen for inhibitors	OTHER 20.5962 uM; NOT_DETERMINED	Not recorded	pubchem.aid:504444 assay Nrf2 qHTS screen for inhibitors evidence reference pubchem.aid:504444 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 504444, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession NP_001138884 was left ungrounded because PubChem did not provide a UniProtKB accession. call NOT_DETERMINED measurement type OTHER value 20.5962 units uM
Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation	OTHER 9.285 uM; ACTIVE	Not recorded	pubchem.aid:504832 assay Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation evidence reference pubchem.aid:504832 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 504832, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency. call ACTIVE measurement type OTHER value 9.285 units uM activity class ENZYME_INHIBITOR
Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation	OTHER 2.9362 uM; ACTIVE	Not recorded	pubchem.aid:504834 assay Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation evidence reference pubchem.aid:504834 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 504834, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency. call ACTIVE measurement type OTHER value 2.9362 units uM activity class ENZYME_INHIBITOR
VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity	OTHER 11.2202 uM; ACTIVE	Not recorded	pubchem.aid:2546 assay VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity evidence reference pubchem.aid:2546 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 2546, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency. Target accession NP_035411 was left ungrounded because PubChem did not provide a UniProtKB accession. call ACTIVE measurement type OTHER value 11.2202 units uM activity class ENZYME_INHIBITOR
qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide	OTHER 19.9526 uM; NOT_DETERMINED	Not recorded	pubchem.aid:1766 assay qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide evidence reference pubchem.aid:1766 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 1766, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession NP_000235 was left ungrounded because PubChem did not provide a UniProtKB accession. call NOT_DETERMINED measurement type OTHER value 19.9526 units uM
qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide	OTHER 19.9526 uM; NOT_DETERMINED	Not recorded	pubchem.aid:1766 assay qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide evidence reference pubchem.aid:1766 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 1766, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession NP_005924 was left ungrounded because PubChem did not provide a UniProtKB accession. call NOT_DETERMINED measurement type OTHER value 19.9526 units uM
qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide	OTHER 8.9125 uM; NOT_DETERMINED	Not recorded	pubchem.aid:1768 assay qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide evidence reference pubchem.aid:1768 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 1768, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession NP_000235 was left ungrounded because PubChem did not provide a UniProtKB accession. call NOT_DETERMINED measurement type OTHER value 8.9125 units uM
qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide	OTHER 8.9125 uM; NOT_DETERMINED	Not recorded	pubchem.aid:1768 assay qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide evidence reference pubchem.aid:1768 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 1768, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession NP_005924 was left ungrounded because PubChem did not provide a UniProtKB accession. call NOT_DETERMINED measurement type OTHER value 8.9125 units uM
qHTS Assay for Inhibitors of BAZ2B	OTHER 79.4328 uM; NOT_DETERMINED	Not recorded	pubchem.aid:504333 assay qHTS Assay for Inhibitors of BAZ2B evidence reference pubchem.aid:504333 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 504333, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession BAA89212 was left ungrounded because PubChem did not provide a UniProtKB accession. call NOT_DETERMINED measurement type OTHER value 79.4328 units uM
qHTS Assay for Inhibitors of DNA Polymerase Beta	OTHER 17.7828 uM; ACTIVE	Not recorded	pubchem.aid:485314 assay qHTS Assay for Inhibitors of DNA Polymerase Beta evidence reference pubchem.aid:485314 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 485314, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency. Target accession NP_002681 was left ungrounded because PubChem did not provide a UniProtKB accession. call ACTIVE measurement type OTHER value 17.7828 units uM activity class ENZYME_INHIBITOR
qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia	OTHER 19.9054 uM; NOT_DETERMINED	Not recorded	pubchem.aid:2451 assay qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia evidence reference pubchem.aid:2451 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 2451, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession 2ISV_A was left ungrounded because PubChem did not provide a UniProtKB accession. call NOT_DETERMINED measurement type OTHER value 19.9054 units uM
qHTS Assay for Inhibitors of JMJD2A-Tudor Domain	OTHER 63.0957 uM; NOT_DETERMINED	Not recorded	pubchem.aid:504339 assay qHTS Assay for Inhibitors of JMJD2A-Tudor Domain evidence reference pubchem.aid:504339 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 504339, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession 2QQS_A was left ungrounded because PubChem did not provide a UniProtKB accession. call NOT_DETERMINED measurement type OTHER value 63.0957 units uM
qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation	OTHER 50.1187 uM; NOT_DETERMINED	Not recorded	pubchem.aid:540263 assay qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation evidence reference pubchem.aid:540263 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 540263, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession NP_002256 was left ungrounded because PubChem did not provide a UniProtKB accession. call NOT_DETERMINED measurement type OTHER value 50.1187 units uM
qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation	OTHER 50.1187 uM; NOT_DETERMINED	Not recorded	pubchem.aid:540263 assay qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation evidence reference pubchem.aid:540263 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 540263, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession NP_005692 was left ungrounded because PubChem did not provide a UniProtKB accession. call NOT_DETERMINED measurement type OTHER value 50.1187 units uM
qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1)	OTHER 0.2512 uM; NOT_DETERMINED	Not recorded	pubchem.aid:485290 assay qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1) evidence reference pubchem.aid:485290 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 485290, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession 1JY1_A was left ungrounded because PubChem did not provide a UniProtKB accession. call NOT_DETERMINED measurement type OTHER value 0.2512 units uM
qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1)	OTHER 28.1838 uM; ACTIVE	Not 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 endpoint: Potency. Target accession 1DE9_A was left ungrounded because PubChem did not provide a UniProtKB accession. call ACTIVE measurement type OTHER value 28.1838 units uM activity class ENZYME_INHIBITOR
qHTS Assay for Lipid Storage Modulators in Drosophila S3 Cells	OTHER 14.581 uM; NOT_DETERMINED	Not recorded	pubchem.aid:2685 assay qHTS Assay for Lipid Storage Modulators in Drosophila S3 Cells evidence reference pubchem.aid:2685 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 2685, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. call NOT_DETERMINED measurement type OTHER value 14.581 units uM
qHTS Assay for the Inhibitors of L3MBTL1	OTHER 19.9526 uM; ACTIVE	Not recorded	pubchem.aid:485360 assay qHTS Assay for the Inhibitors of L3MBTL1 evidence reference pubchem.aid:485360 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 485360, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency. Target accession NP_056293 was left ungrounded because PubChem did not provide a UniProtKB accession. call ACTIVE measurement type OTHER value 19.9526 units uM activity class ENZYME_INHIBITOR
qHTS Assay for the Inhibitors of L3MBTL1: Hit Validation	OTHER 6.7016 uM; ACTIVE	Not recorded	pubchem.aid:540279 assay qHTS Assay for the Inhibitors of L3MBTL1: Hit Validation evidence reference pubchem.aid:540279 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 540279, deposited by NCGC; assay type Confirmatory. Source endpoint: Potency. Target accession NP_056293 was left ungrounded because PubChem did not provide a UniProtKB accession. call ACTIVE measurement type OTHER value 6.7016 units uM activity class ENZYME_INHIBITOR
qHTS Assay for the Inhibitors of L3MBTL1: Hit Validationin AlphaScreen Counterscreen	OTHER 37.6858 uM; NOT_DETERMINED	Not recorded	pubchem.aid:602224 assay qHTS Assay for the Inhibitors of L3MBTL1: Hit Validationin AlphaScreen Counterscreen evidence reference pubchem.aid:602224 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 602224, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. call NOT_DETERMINED measurement type OTHER value 37.6858 units uM notes 28 further PubChem assay results are in data/raw/pubchem_bioassay.tsv but not written here.