[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-1-yl] propanoate
| Internal ID | 2cdf08e8-a8b7-4071-9cc8-3c4311c105d1 |
| Taxonomy | Alkaloids and derivatives > Tropane alkaloids |
| IUPAC Name | [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-1-yl] propanoate |
| SMILES (Canonical) | CCC(=O)OC12CCCC(N1C)CC2 |
| SMILES (Isomeric) | CCC(=O)O[C@@]12CCC[C@@H](N1C)CC2 |
| InChI | InChI=1S/C11H19NO2/c1-3-10(13)14-11-7-4-5-9(6-8-11)12(11)2/h9H,3-8H2,1-2H3/t9-,11-/m1/s1 |
| InChI Key | HRDZCCVWYUKWAS-MWLCHTKSSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C11H19NO2 |
| Molecular Weight | 197.27 g/mol |
| Exact Mass | 197.141578849 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-1-yl] propanoate](https://plantaedb.com/storage/docs/compounds/2023/11/1r5r-8-methyl-8-azabicyclo321octan-1-yl-propanoate.jpg "2D Structure of [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-1-yl] propanoate")
| 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 | 98.23% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.79% | 96.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.93% | 96.38% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.66% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.93% | 98.95% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.35% | 92.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.13% | 97.09% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 84.21% | 97.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.81% | 82.69% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.04% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.24% | 92.62% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.96% | 93.03% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.77% | 96.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.44% | 95.89% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.14% | 95.50% |
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.
| Duboisia myoporoides |
| PubChem | 141478070 |
| LOTUS | LTS0047916 |
| wikiData | Q105032614 |