bactobolin
naturalproductmech:mibig-3089dc7277 MINTED SEEDED cytotoxic
Structure
| Standard InChIKey | RBCHRRIVFAIGFI-RGBMRXMBSA-N |
|---|---|
| SMILES | [H][C@@](C)(N)C(=O)N[C@@H]1[C@]2([H])[C@@H](O)[C@H](O)CC(O)=C2C(=O)O[C@]1(C)C(Cl)Cl |
| Stereochemistry | fully defined |
| Cross-references | npatlas:NPA05764, pubchem:54676871 |
Filing pathway
Shikimates and phenylpropanoids — 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 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 |
|---|---|---|---|
| Burkholderia thailandensis E264 NCBITaxon:271848 |
SOURCE_ASSERTION | mibig:BGC0000961 | PMID:21615115 |
Occurrences 3
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 |
|---|---|---|
| Pseudomonas NCBITaxon:286 |
LOTUS | DOI:10.7164/ANTIBIOTICS.32.1069 |
| Burkholderia thailandensis NCBITaxon:57975 |
LOTUS | DOI:10.1021/OL200922S |
| Burkholderia thailandensis NCBITaxon:57975 |
LOTUS | DOI:10.1021/OL902751X |
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0000961 | Burkholderia thailandensis E264 NCBITaxon:271848 |
CLUSTER_UNSTATED | genbank:CP000085.1 |
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 25
| Assay | Result | Reference |
|---|---|---|
| NCI In Vivo Anticancer Drug Screen. Data for tumor model Human Mammary Carcinoma MX-1 Xenograft (intrarenal inoculation) in NU/NU Swiss (nude) mice | ACTIVE | pubchem.aid:296 |
| NCI In Vivo Anticancer Drug Screen. Data for tumor model L1210 Leukemia (intraperitoneal) in CD2F1 (CDF1) mice | ACTIVE | pubchem.aid:256 |
| NCI In Vivo Anticancer Drug Screen. Data for tumor model L1210 Leukemia (subcutaneous) in CD2F1 (CDF1) mice | ACTIVE | pubchem.aid:258 |
| NCI In Vivo Anticancer Drug Screen. Data for tumor model P388 Leukemia (intraperitoneal) in CD2F1 (CDF1) mice | ACTIVE | pubchem.aid:330 |
| NCI In Vivo Anticancer Drug Screen. Data for tumor model Sarcoma M5076 (intraperitoneal) in B6C3F1 mice | ACTIVE | pubchem.aid:292 |
| NCI human tumor cell line growth inhibition assay. Data for the 786-0 Renal cell line | ACTIVE | pubchem.aid:137 |
| NCI human tumor cell line growth inhibition assay. Data for the A498 Renal cell line | ACTIVE | pubchem.aid:129 |
| NCI human tumor cell line growth inhibition assay. Data for the A549/ATCC Non-Small Cell Lung cell line | ACTIVE | pubchem.aid:19 |
| NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line | ACTIVE | pubchem.aid:139 |
| NCI human tumor cell line growth inhibition assay. Data for the BT-549 Breast cell line | ACTIVE | pubchem.aid:89 |
| NCI human tumor cell line growth inhibition assay. Data for the CAKI-1 Renal cell line | ACTIVE | pubchem.aid:131 |
| NCI human tumor cell line growth inhibition assay. Data for the CCRF-CEM Leukemia cell line | ACTIVE | pubchem.aid:119 |
| NCI human tumor cell line growth inhibition assay. Data for the COLO 205 Colon cell line | ACTIVE | pubchem.aid:67 |
| NCI human tumor cell line growth inhibition assay. Data for the DLD-1 Colon cell line | ACTIVE | pubchem.aid:69 |
| NCI human tumor cell line growth inhibition assay. Data for the DMS 114 Small Cell Lung cell line | ACTIVE | pubchem.aid:63 |
| NCI human tumor cell line growth inhibition assay. Data for the DMS 273 Small Cell Lung cell line | ACTIVE | pubchem.aid:61 |
| NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line | ACTIVE | pubchem.aid:43 |
| NCI human tumor cell line growth inhibition assay. Data for the EKVX Non-Small Cell Lung cell line | ACTIVE | pubchem.aid:21 |
| NCI human tumor cell line growth inhibition assay. Data for the HCC-2998 Colon cell line | ACTIVE | pubchem.aid:77 |
| NCI human tumor cell line growth inhibition assay. Data for the HCT-116 Colon cell line | ACTIVE | pubchem.aid:79 |
| NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line | ACTIVE | pubchem.aid:125 |
| NCI human tumor cell line growth inhibition assay. Data for the HOP-18 Non-Small Cell Lung cell line | ACTIVE | pubchem.aid:11 |
| NCI human tumor cell line growth inhibition assay. Data for the HOP-62 Non-Small Cell Lung cell line | ACTIVE | pubchem.aid:9 |
| NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line | ACTIVE | pubchem.aid:13 |
| NCI human tumor cell line growth inhibition assay. Data for the HS 578T Breast cell line | ACTIVE | pubchem.aid:97 |
Provenance
| Source concept | Source | Version |
|---|---|---|
| BGC0000961 | MIBIG | 5 |
This page is generated from data/natural_products/shikimates_and_phenylpropanoids/bactobolin.yaml, which is generated from the committed inventories. Neither is edited by hand.