culmorin
naturalproductmech:mibig-f0432c8c31 MINTED SEEDED cytotoxicenzyme inhibitor
Structure
| Standard InChIKey | VWMGBHVRRNKOAE-UHFFFAOYSA-N |
|---|---|
| SMILES | CC1(C)CCCC2(C)C3C(O)CC2(C)C(O)C31 |
| Stereochemistry | undefined stereocentres — the InChIKey does not distinguish this compound from its stereoisomers |
| Cross-references | npatlas:NPA032745, pubchem:368926 |
Filing pathway
Terpenoids — 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 |
|---|---|---|---|
| Fusarium graminearum PH-1 NCBITaxon:229533 |
BGC_CHARACTERIZED | mibig:BGC0002176 | PMID:11122521 |
Occurrences 5
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 |
|---|---|---|
| Fusarium roseum NCBITaxon:5128 |
LOTUS | DOI:10.1021/JF00067A032 |
| Fusarium culmorum NCBITaxon:5516 |
LOTUS | DOI:10.1023/A:1011964306510 |
| Fusarium culmorum NCBITaxon:5516 |
LOTUS | DOI:10.1039/C19670000030 |
| Fusarium culmorum NCBITaxon:5516 |
LOTUS | DOI:10.1042/BJ0310385 |
| Fusarium graminearum NCBITaxon:5518 |
LOTUS | DOI:10.1128/AEM.02017-09 |
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0002176 | Fusarium graminearum PH-1 NCBITaxon:229533 |
CLUSTER_DEMONSTRATED | genbank:CM000574.1 |
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 5
| Assay | Result | Reference |
|---|---|---|
| qHTS Assay for Activators of Cytochrome P450 3A4 | 31.6228 uM | pubchem.aid:885 |
| qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4 | 31.6228 uM | pubchem.aid:884 |
| qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1) | 39.8107 uM | pubchem.aid:2549 |
| qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization | 1.4125 uM | pubchem.aid:1468 |
| NCI human tumor cell line growth inhibition assay. Data for the 786-0 Renal cell line | ACTIVE | pubchem.aid:137 |
Provenance
| Source concept | Source | Version |
|---|---|---|
| BGC0002176 | MIBIG | 3 |
This page is generated from data/natural_products/terpenoids/culmorin.yaml, which is generated from the committed inventories. Neither is edited by hand.