(R)-[(2S,5R)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
| Internal ID | 3c1c4906-1f4b-44b4-a0ee-07ce3eae9b01 |
| Taxonomy | Alkaloids and derivatives > Cinchona alkaloids |
| IUPAC Name | (R)-[(2S,5R)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol |
| SMILES (Canonical) | C=CC1C[NH+]2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O |
| SMILES (Isomeric) | C=C[C@H]1C[NH+]2CCC1C[C@H]2[C@@H](C3=CC=NC4=CC=CC=C34)O |
| InChI | InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/p+1/t13-,14?,18-,19+/m0/s1 |
| InChI Key | KMPWYEUPVWOPIM-YNRGSOABSA-O |
| Popularity | 0 references in papers |
| Molecular Formula | C19H23N2O+ |
| Molecular Weight | 295.40 g/mol |
| Exact Mass | 295.181038361 g/mol |
| Topological Polar Surface Area (TPSA) | 37.60 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of (R)-[(2S,5R)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol](https://plantaedb.com/storage/docs/compounds/2023/07/r-2s5r-5-ethenyl-1-azoniabicyclo222octan-2-yl-quinolin-4-ylmethanol.jpg "2D Structure of (R)-[(2S,5R)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.74% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.35% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.64% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.60% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.04% | 96.09% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 90.90% | 92.51% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 87.82% | 93.81% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.83% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 85.68% | 94.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.79% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.59% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.05% | 92.62% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.40% | 100.00% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 80.96% | 94.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.75% | 98.95% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 80.18% | 96.47% |
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.
| Cinchona calisaya |