(7,14-Diacetyloxy-4-butanoyloxy-8,9-dihydroxy-5,9-dimethyl-11-prop-1-en-2-yl-16-oxatetracyclo[6.6.2.01,10.03,7]hexadec-12-en-2-yl) pyridine-3-carboxylate
| Internal ID | 2d4d62a8-787e-4117-8cad-4c457e11d8a7 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
| IUPAC Name | (7,14-diacetyloxy-4-butanoyloxy-8,9-dihydroxy-5,9-dimethyl-11-prop-1-en-2-yl-16-oxatetracyclo[6.6.2.01,10.03,7]hexadec-12-en-2-yl) pyridine-3-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H43NO11/c1-8-10-25(38)44-27-19(4)15-33(46-21(6)37)26(27)29(45-30(39)22-11-9-14-35-16-22)32-17-42-34(33,41)31(7,40)28(32)23(18(2)3)12-13-24(32)43-20(5)36/h9,11-14,16,19,23-24,26-29,40-41H,2,8,10,15,17H2,1,3-7H3 |
| InChI Key | MDNIDRBFJYQKDB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H43NO11 |
| Molecular Weight | 641.70 g/mol |
| Exact Mass | 641.28361119 g/mol |
| Topological Polar Surface Area (TPSA) | 168.00 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of (7,14-Diacetyloxy-4-butanoyloxy-8,9-dihydroxy-5,9-dimethyl-11-prop-1-en-2-yl-16-oxatetracyclo[6.6.2.01,10.03,7]hexadec-12-en-2-yl) pyridine-3-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/d0beb7f0-8574-11ee-a0a6-35d940b528c8.jpg "2D Structure of (7,14-Diacetyloxy-4-butanoyloxy-8,9-dihydroxy-5,9-dimethyl-11-prop-1-en-2-yl-16-oxatetracyclo[6.6.2.01,10.03,7]hexadec-12-en-2-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.54% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.38% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.20% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.60% | 86.33% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 96.44% | 97.79% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.01% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.87% | 90.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 95.46% | 89.34% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.27% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.19% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.58% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.42% | 85.14% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 87.59% | 93.10% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 87.46% | 91.24% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.93% | 91.07% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.64% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.63% | 95.89% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.88% | 94.80% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 83.62% | 97.33% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.11% | 98.75% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.07% | 94.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.38% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.58% | 99.17% |
| CHEMBL5028 | O14672 | ADAM10 | 81.45% | 97.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.01% | 97.09% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.99% | 95.17% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.60% | 92.88% |
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 polycaulis |
| PubChem | 162992837 |
| LOTUS | LTS0195387 |
| wikiData | Q104667687 |