Miotoxin B
| Internal ID | 78efff30-8879-4667-bb55-2ec5f28272c8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Trichothecenes |
| IUPAC Name | (1R,3R,8R,13S,18E,20Z,24R,25S,26S)-17-(1-hydroxyethyl)-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-11,14,22-trione |
| SMILES (Canonical) | CC1CC(=O)OCC23CCC(=CC2OC4CC(C3(C45CO5)C)OC(=O)C=CC=CC(OCC1=O)C(C)O)C |
| SMILES (Isomeric) | C[C@H]1CC(=O)OC[C@]23CCC(=C[C@H]2O[C@@H]4C[C@H]([C@]3([C@]45CO5)C)OC(=O)/C=C\C=C\C(OCC1=O)C(C)O)C |
| InChI | InChI=1S/C29H38O9/c1-17-9-10-28-15-35-26(33)12-18(2)20(31)14-34-21(19(3)30)7-5-6-8-25(32)38-22-13-24(37-23(28)11-17)29(16-36-29)27(22,28)4/h5-8,11,18-19,21-24,30H,9-10,12-16H2,1-4H3/b7-5+,8-6-/t18-,19?,21?,22+,23+,24+,27+,28+,29-/m0/s1 |
| InChI Key | ARFRGJLJRXAOAX-HFPCCPLESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H38O9 |
| Molecular Weight | 530.60 g/mol |
| Exact Mass | 530.25158279 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | 2.00 |
| K9EG220JPZ |
| UNII-K9EG220JPZ |
| NSC-375727 |
| 93633-90-0 |
| Verrucarin A, 7'-deoxo-2'-deoxy-7'-(1-hydroxyethyl)-4'-oxo- |
| (1R,3R,8R,13S,18E,20Z,24R,25S,26S)-17-(1-hydroxyethyl)-5,13,25-trimethylspiro(2,10,16,23-tetraoxatetracyclo(22.2.1.03,8.08,25)heptacosa-4,18,20-triene-26,2'-oxirane)-11,14,22-trione |
| (1R,3R,8R,13S,18E,20Z,24R,25S,26S)-17-(1-hydroxyethyl)-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-11,14,22-trione |
| RefChem:158995 |
| Q27896581 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.40% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.45% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.36% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.11% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.00% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.71% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.80% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.07% | 100.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.94% | 91.49% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.76% | 97.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.03% | 99.23% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 87.71% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.46% | 97.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.31% | 96.47% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.12% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.67% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.68% | 90.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.70% | 96.95% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Baccharis coridifolia |
| PubChem | 122201365 |
| LOTUS | LTS0106680 |
| wikiData | Q27896581 |