2-(6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl)-3-methoxyprop-2-enoic acid
| Internal ID | 41489707-be69-4f24-92a4-52efed79b063 |
| Taxonomy | Organoheterocyclic compounds > Indolizidines |
| IUPAC Name | 2-(6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl)-3-methoxyprop-2-enoic acid |
| SMILES (Canonical) | CCC1CN2CCC3(C2CC1C(=COC)C(=O)O)C4=CC=CC=C4NC3=O |
| SMILES (Isomeric) | CCC1CN2CCC3(C2CC1C(=COC)C(=O)O)C4=CC=CC=C4NC3=O |
| InChI | InChI=1S/C21H26N2O4/c1-3-13-11-23-9-8-21(16-6-4-5-7-17(16)22-20(21)26)18(23)10-14(13)15(12-27-2)19(24)25/h4-7,12-14,18H,3,8-11H2,1-2H3,(H,22,26)(H,24,25) |
| InChI Key | IQSFEAHJUMVILC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H26N2O4 |
| Molecular Weight | 370.40 g/mol |
| Exact Mass | 370.18925731 g/mol |
| Topological Polar Surface Area (TPSA) | 78.90 Ų |
| XlogP | -0.30 |
| There are no found synonyms. |
![2D Structure of 2-(6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl)-3-methoxyprop-2-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/358a3bd0-84a7-11ee-80eb-b73065a9b09e.jpg "2D Structure of 2-(6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl)-3-methoxyprop-2-enoic acid")
| 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 | 98.61% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.87% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.27% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.75% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.03% | 86.33% |
| CHEMBL233 | P35372 | Mu opioid receptor | 88.08% | 97.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.98% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.71% | 90.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.68% | 94.75% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.93% | 97.25% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 86.01% | 94.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.88% | 94.45% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.15% | 93.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.86% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.94% | 90.71% |
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.
| Uncaria sinensis |
| PubChem | 137796375 |
| LOTUS | LTS0268387 |
| wikiData | Q104402345 |