[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-1-yl] 2-phenylacetate
| Internal ID | 2f04e358-fc50-4eea-a043-525f5388d7b2 |
| Taxonomy | Alkaloids and derivatives > Tropane alkaloids |
| IUPAC Name | [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-1-yl] 2-phenylacetate |
| SMILES (Canonical) | CN1C2CCCC1(CC2)OC(=O)CC3=CC=CC=C3 |
| SMILES (Isomeric) | CN1[C@@H]2CCC[C@]1(CC2)OC(=O)CC3=CC=CC=C3 |
| InChI | InChI=1S/C16H21NO2/c1-17-14-8-5-10-16(17,11-9-14)19-15(18)12-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3/t14-,16-/m1/s1 |
| InChI Key | FPAXRIZNMBFUFU-GDBMZVCRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H21NO2 |
| Molecular Weight | 259.34 g/mol |
| Exact Mass | 259.157228913 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-1-yl] 2-phenylacetate](https://plantaedb.com/storage/docs/compounds/2023/11/1r5r-8-methyl-8-azabicyclo321octan-1-yl-2-phenylacetate.jpg "2D Structure of [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-1-yl] 2-phenylacetate")
| 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 | 97.95% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.88% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.35% | 90.17% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 89.02% | 94.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.81% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.28% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.09% | 86.33% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.74% | 82.69% |
| CHEMBL5028 | O14672 | ADAM10 | 82.22% | 97.50% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.70% | 93.03% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 81.28% | 96.25% |
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.
| Datura stramonium |
| PubChem | 69566372 |
| LOTUS | LTS0149912 |
| wikiData | Q104999061 |