4-acetylnivalenol
naturalproductmech:mibig-9d360a983b MINTED SEEDED cytotoxic
Structure
| Standard InChIKey | LNISAMDQAWTXQV-DUFIIWHPSA-N |
|---|---|
| SMILES | CC(=O)O[C@@H]1C[C@@H](O)[C@H]2O[C@@H]3C=C(C)C(=O)[C@@H](O)[C@]3(CO)[C@]1(C)[C@@]21CO1 |
| Stereochemistry | fully defined |
| Cross-references | pubchem:304599, chembl:CHEMBL2251641 |
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 NCBITaxon:5518 |
SOURCE_ASSERTION | mibig:BGC0000930 | DOI:10.1128/aem.68.5.2148-2154.2002 |
Occurrences 0
None cited.
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0000930 | Fusarium graminearum NCBITaxon:5518 |
CLUSTER_UNSTATED | genbank:AF336365.2 |
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 9
| Assay | Result | Reference |
|---|---|---|
| NCI In Vivo Anticancer Drug Screen. Data for tumor model B16 Melanoma (intraperitoneal) in B6D2F1 (BDF1) mice | ACTIVE | pubchem.aid:192 |
| NCI In Vivo Anticancer Drug Screen. Data for tumor model Mammary Adenocarcinoma CD8F1 (subcutaneous) in CD8F1 | ACTIVE | pubchem.aid:220 |
| NCI In Vivo Anticancer Drug Screen. Data for tumor model P388 Leukemia (intraperitoneal) in B6D2F1 (BDF1) mice | ACTIVE | pubchem.aid:328 |
| NCI Yeast Anticancer Drug Screen. Data for the bub3 strain | ACTIVE | pubchem.aid:167 |
| NCI Yeast Anticancer Drug Screen. Data for the cln2 rad14 strain | ACTIVE | pubchem.aid:165 |
| NCI Yeast Anticancer Drug Screen. Data for the mec2-1 strain | ACTIVE | pubchem.aid:157 |
| NCI Yeast Anticancer Drug Screen. Data for the mlh1 rad18 strain | ACTIVE | pubchem.aid:175 |
| NCI Yeast Anticancer Drug Screen. Data for the rad50 strain | ACTIVE | pubchem.aid:155 |
| NCI Yeast Anticancer Drug Screen. Data for the sgs1 mgt1 strain | ACTIVE | pubchem.aid:161 |
Provenance
| Source concept | Source | Version |
|---|---|---|
| BGC0000930 | MIBIG | 4 |
This page is generated from data/natural_products/terpenoids/4-acetylnivalenol.yaml, which is generated from the committed inventories. Neither is edited by hand.