2-Epibotcinolide
| Internal ID | b6b999e2-e0b1-4457-a237-0f45fc416cd0 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | [(2R,3S,4R,5R,6S,7S,8R)-5,6,7-trihydroxy-2,4,6,8-tetramethyl-9-oxooxonan-3-yl] (E)-4-hydroxyoct-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H34O8/c1-6-7-8-14(21)9-10-15(22)28-16-11(2)17(23)20(5,26)18(24)12(3)19(25)27-13(16)4/h9-14,16-18,21,23-24,26H,6-8H2,1-5H3/b10-9+/t11-,12+,13+,14?,16-,17+,18-,20-/m0/s1 |
| InChI Key | YFWCDPYMHQAWJE-SDMUASMTSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C20H34O8 |
| Molecular Weight | 402.50 g/mol |
| Exact Mass | 402.22536804 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 1.30 |
| RefChem:909790 |
| ((2R,3S,4R,5R,6S,7S,8R)-5,6,7-trihydroxy-2,4,6,8-tetramethyl-9-oxooxonan-3-yl) (E)-4-hydroxyoct-2-enoate |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.77% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.41% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.83% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.60% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.84% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.06% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.27% | 86.33% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 88.04% | 98.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.44% | 95.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.39% | 96.47% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.19% | 91.19% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.23% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.91% | 100.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 82.72% | 82.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.32% | 94.45% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.49% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.62% | 89.00% |
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.
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| There are no matching plants. |
| PubChem | 101404442 |
| LOTUS | LTS0123929 |
| wikiData | Q105347847 |