[(1S,2R,3S,4S,5S,7R,9S,10R,11S,14R)-7-acetyloxy-2,4-di(butanoyloxy)-5,9-dimethyl-8-oxo-11-prop-1-en-2-yl-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-14-yl] pyridine-3-carboxylate
| Internal ID | 9bd6be4b-f9de-4ea3-9235-fbd048056e68 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
| IUPAC Name | [(1S,2R,3S,4S,5S,7R,9S,10R,11S,14R)-7-acetyloxy-2,4-di(butanoyloxy)-5,9-dimethyl-8-oxo-11-prop-1-en-2-yl-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-14-yl] pyridine-3-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H45NO10/c1-8-11-26(39)45-29-21(5)17-36(47-22(6)38)28(29)31(46-27(40)12-9-2)35-19-43-34(7,33(36)42)30(35)24(20(3)4)14-15-25(35)44-32(41)23-13-10-16-37-18-23/h10,13-16,18,21,24-25,28-31H,3,8-9,11-12,17,19H2,1-2,4-7H3/t21-,24+,25+,28-,29-,30-,31+,34-,35-,36+/m0/s1 |
| InChI Key | OKKRJJBVQCDYGQ-USPWQXLXSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C36H45NO10 |
| Molecular Weight | 651.70 g/mol |
| Exact Mass | 651.30434663 g/mol |
| Topological Polar Surface Area (TPSA) | 144.00 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of [(1S,2R,3S,4S,5S,7R,9S,10R,11S,14R)-7-acetyloxy-2,4-di(butanoyloxy)-5,9-dimethyl-8-oxo-11-prop-1-en-2-yl-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-14-yl] pyridine-3-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/4a597900-8557-11ee-876f-e7217e001e85.jpg "2D Structure of [(1S,2R,3S,4S,5S,7R,9S,10R,11S,14R)-7-acetyloxy-2,4-di(butanoyloxy)-5,9-dimethyl-8-oxo-11-prop-1-en-2-yl-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-14-yl] pyridine-3-carboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL2996 | Q05655 | Protein kinase C delta | 98.51% | 97.79% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.22% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.89% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 97.78% | 89.34% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.24% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.16% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.13% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.71% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.53% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.80% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.46% | 94.45% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.72% | 89.63% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.59% | 89.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.72% | 94.80% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.60% | 91.07% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.59% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.54% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.23% | 95.89% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.83% | 94.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.70% | 90.17% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 83.49% | 96.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 83.40% | 93.10% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 81.54% | 83.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.88% | 98.75% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.87% | 97.33% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 80.39% | 81.11% |
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.
| Euphorbia myrsinites |
| PubChem | 162999148 |
| LOTUS | LTS0108639 |
| wikiData | Q105193616 |