[(1R,2R,3R,4S,5S,7R,8S,9R,10R,11S,14R)-2,4,7-triacetyloxy-5,9-dimethyl-11-prop-1-en-2-yl-8-(pyridine-3-carbonyloxy)-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-14-yl] pyridine-3-carboxylate
| Internal ID | 10366b11-094b-45a9-b05a-7602a7d2a6a5 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Pentacarboxylic acids and derivatives |
| IUPAC Name | [(1R,2R,3R,4S,5S,7R,8S,9R,10R,11S,14R)-2,4,7-triacetyloxy-5,9-dimethyl-11-prop-1-en-2-yl-8-(pyridine-3-carbonyloxy)-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-14-yl] pyridine-3-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C38H42N2O11/c1-20(2)27-12-13-28(49-33(44)25-10-8-14-39-17-25)37-19-46-36(7,31(27)37)35(50-34(45)26-11-9-15-40-18-26)38(51-24(6)43)16-21(3)30(47-22(4)41)29(38)32(37)48-23(5)42/h8-15,17-18,21,27-32,35H,1,16,19H2,2-7H3/t21-,27+,28+,29+,30-,31-,32+,35-,36+,37+,38+/m0/s1 |
| InChI Key | FYIFMJORFGEHIK-JVHVZTGESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C38H42N2O11 |
| Molecular Weight | 702.70 g/mol |
| Exact Mass | 702.27886016 g/mol |
| Topological Polar Surface Area (TPSA) | 167.00 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of [(1R,2R,3R,4S,5S,7R,8S,9R,10R,11S,14R)-2,4,7-triacetyloxy-5,9-dimethyl-11-prop-1-en-2-yl-8-(pyridine-3-carbonyloxy)-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-14-yl] pyridine-3-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/671d77c0-854f-11ee-8d1b-950360e8d72d.jpg "2D Structure of [(1R,2R,3R,4S,5S,7R,8S,9R,10R,11S,14R)-2,4,7-triacetyloxy-5,9-dimethyl-11-prop-1-en-2-yl-8-(pyridine-3-carbonyloxy)-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.39% | 96.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 96.76% | 89.34% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 96.67% | 97.79% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.08% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.27% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.83% | 91.49% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 94.26% | 81.11% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.66% | 91.11% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 93.30% | 94.80% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.96% | 99.23% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.96% | 90.17% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 85.31% | 96.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.33% | 91.07% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.75% | 97.25% |
| CHEMBL5028 | O14672 | ADAM10 | 83.63% | 97.50% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 83.50% | 96.47% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 83.06% | 83.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.88% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.12% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.88% | 95.89% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.53% | 97.33% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 80.49% | 97.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.19% | 89.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.16% | 93.10% |
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 seguieriana subsp. seguieriana |
| PubChem | 101683625 |
| LOTUS | LTS0120577 |
| wikiData | Q105004492 |