(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-methylbut-2-enoate
| Internal ID | f8ede2bd-6bd7-4a14-9d8d-8f9aa0a3b268 |
| Taxonomy | Alkaloids and derivatives > Tropane alkaloids |
| IUPAC Name | (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-methylbut-2-enoate |
| SMILES (Canonical) | CC(=CC(=O)OC1CC2CCC(C1)N2C)C |
| SMILES (Isomeric) | CC(=CC(=O)OC1CC2CCC(C1)N2C)C |
| InChI | InChI=1S/C13H21NO2/c1-9(2)6-13(15)16-12-7-10-4-5-11(8-12)14(10)3/h6,10-12H,4-5,7-8H2,1-3H3 |
| InChI Key | PFQFRMFXPJMNJJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H21NO2 |
| Molecular Weight | 223.31 g/mol |
| Exact Mass | 223.157228913 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of (8-Methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/8-methyl-8-azabicyclo321octan-3-yl-3-methylbut-2-enoate.jpg "2D Structure of (8-Methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-methylbut-2-enoate")
| 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 | 97.13% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.87% | 83.82% |
| CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 91.42% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.70% | 91.19% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.30% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.90% | 98.95% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 85.87% | 97.47% |
| CHEMBL238 | Q01959 | Dopamine transporter | 84.95% | 95.88% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.03% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.53% | 96.95% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 83.20% | 97.53% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.08% | 97.21% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.43% | 95.89% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.28% | 96.47% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.81% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.72% | 99.17% |
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.
| Schizanthus grahamii |
| PubChem | 13874121 |
| LOTUS | LTS0212295 |
| wikiData | Q105207900 |