methyl (1R,2R,5S)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylate
| Internal ID | d96a7a22-7ca4-4136-b2e8-f0e13d578fe0 |
| Taxonomy | Alkaloids and derivatives > Tropane alkaloids |
| IUPAC Name | methyl (1R,2R,5S)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C10H15NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-7,9H,3-5H2,1-2H3/t6-,7+,9+/m0/s1 |
| InChI Key | WXEMSGQRTGSYOG-LKEWCRSYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C10H15NO3 |
| Molecular Weight | 197.23 g/mol |
| Exact Mass | 197.10519334 g/mol |
| Topological Polar Surface Area (TPSA) | 46.60 Ų |
| XlogP | 0.50 |
| methyl (1R,2R,5S)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylate |
| 2-carbomethoxy-3-tropinone |
| methyl ecgonone |
| CHEBI:67115 |
| Q15634203 |
| methyl (1R,2R,5S)-8-methyl-3-oxo- 8-azabicyclo[3.2.1]octane-2-carboxylate |
![2D Structure of methyl (1R,2R,5S)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/ecgonone-methyl-ester.jpg "2D Structure of methyl (1R,2R,5S)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-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 | 96.14% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.92% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.30% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.53% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.92% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.71% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.66% | 91.19% |
| CHEMBL238 | Q01959 | Dopamine transporter | 86.63% | 95.88% |
| CHEMBL4072 | P07858 | Cathepsin B | 86.35% | 93.67% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.33% | 85.14% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.75% | 93.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.22% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.14% | 96.77% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.89% | 95.89% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.82% | 94.00% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 81.09% | 92.78% |
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.
| There are no matching plants. |
| PubChem | 11127215 |
| LOTUS | LTS0081286 |
| wikiData | Q15634203 |