[(1S,2R,3R,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 1-methylpyrrole-2-carboxylate
| Internal ID | 8ce9e5a3-c79d-442d-a97f-8c231e11f0e3 |
| Taxonomy | Alkaloids and derivatives > Tropane alkaloids |
| IUPAC Name | [(1S,2R,3R,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 1-methylpyrrole-2-carboxylate |
| SMILES (Canonical) | CN1C=CC=C1C(=O)OC2C3CCC(N3C)CC2O |
| SMILES (Isomeric) | CN1C=CC=C1C(=O)O[C@@H]2[C@@H]3CC[C@@H](N3C)C[C@H]2O |
| InChI | InChI=1S/C14H20N2O3/c1-15-7-3-4-11(15)14(18)19-13-10-6-5-9(16(10)2)8-12(13)17/h3-4,7,9-10,12-13,17H,5-6,8H2,1-2H3/t9-,10+,12-,13-/m1/s1 |
| InChI Key | NYJACYIWJBOONP-LYIQGSDWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H20N2O3 |
| Molecular Weight | 264.32 g/mol |
| Exact Mass | 264.14739250 g/mol |
| Topological Polar Surface Area (TPSA) | 54.70 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of [(1S,2R,3R,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 1-methylpyrrole-2-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/1s2r3r5r-3-hydroxy-8-methyl-8-azabicyclo321octan-2-yl-1-methylpyrrole-2-carboxylate.jpg "2D Structure of [(1S,2R,3R,5R)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 1-methylpyrrole-2-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 | 98.17% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.46% | 98.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.01% | 97.21% |
| CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 85.24% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.00% | 90.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.75% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.43% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.96% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.90% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.15% | 97.25% |
| CHEMBL238 | Q01959 | Dopamine transporter | 81.15% | 95.88% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.44% | 93.03% |
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.
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| There are no matching plants. |
| PubChem | 163051783 |
| LOTUS | LTS0081541 |
| wikiData | Q105187522 |