methyl 6-(5-ethenylpyridine-3-carbonyl)oxy-7-methyl-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridine-4-carboxylate
| Internal ID | 019ee727-91d9-4ef4-9e90-8230c5824d58 |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Pyridinecarboxylic acids and derivatives > Pyridinecarboxylic acids |
| IUPAC Name | methyl 6-(5-ethenylpyridine-3-carbonyl)oxy-7-methyl-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridine-4-carboxylate |
| SMILES (Canonical) | CC1C(CC2C1CNC=C2C(=O)OC)OC(=O)C3=CN=CC(=C3)C=C |
| SMILES (Isomeric) | CC1C(CC2C1CNC=C2C(=O)OC)OC(=O)C3=CN=CC(=C3)C=C |
| InChI | InChI=1S/C19H22N2O4/c1-4-12-5-13(8-20-7-12)18(22)25-17-6-14-15(11(17)2)9-21-10-16(14)19(23)24-3/h4-5,7-8,10-11,14-15,17,21H,1,6,9H2,2-3H3 |
| InChI Key | OMSCKIXRVCHVAG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H22N2O4 |
| Molecular Weight | 342.40 g/mol |
| Exact Mass | 342.15795719 g/mol |
| Topological Polar Surface Area (TPSA) | 77.50 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of methyl 6-(5-ethenylpyridine-3-carbonyl)oxy-7-methyl-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridine-4-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/1d1cb7e0-858e-11ee-8ba5-910d78fcdfae.jpg "2D Structure of methyl 6-(5-ethenylpyridine-3-carbonyl)oxy-7-methyl-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridine-4-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 | 97.56% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.16% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.02% | 99.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 91.62% | 89.34% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.17% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.81% | 85.14% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.25% | 96.95% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 89.87% | 81.11% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.73% | 97.21% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.18% | 97.09% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 87.95% | 97.53% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.54% | 90.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 86.78% | 92.88% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 84.83% | 96.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 84.43% | 95.71% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.20% | 91.07% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.76% | 91.19% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 81.87% | 92.29% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.75% | 94.73% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.14% | 89.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.12% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.44% | 98.75% |
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.
| Scaevola racemigera |
| PubChem | 74036688 |
| LOTUS | LTS0194379 |
| wikiData | Q105194481 |