4-[(R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-6-ol
| Internal ID | 9a261050-2f29-4a82-b109-4cff75e04c5a |
| Taxonomy | Alkaloids and derivatives > Cinchona alkaloids |
| IUPAC Name | 4-[(R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-6-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H22N2O2/c1-2-12-11-21-8-6-13(12)9-18(21)19(23)15-5-7-20-17-4-3-14(22)10-16(15)17/h2-5,7,10,12-13,18-19,22-23H,1,6,8-9,11H2/t12-,13-,18+,19+/m0/s1 |
| InChI Key | VJFMSYZSFUWQPZ-MBZVMHRFSA-N |
| Popularity | 9 references in papers |
| Molecular Formula | C19H22N2O2 |
| Molecular Weight | 310.40 g/mol |
| Exact Mass | 310.168127949 g/mol |
| Topological Polar Surface Area (TPSA) | 56.60 Ų |
| XlogP | 2.60 |
| SCHEMBL23455144 |
| Q27103785 |
![2D Structure of 4-[(R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/9r-cinchonan-69-diol.jpg "2D Structure of 4-[(R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-6-ol")
| 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 | 96.96% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.61% | 94.45% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 94.24% | 93.10% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.57% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.88% | 89.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 91.61% | 89.62% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 91.35% | 96.69% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.29% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.48% | 91.49% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.47% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.30% | 95.89% |
| CHEMBL4235 | P28845 | 11-beta-hydroxysteroid dehydrogenase 1 | 86.12% | 97.98% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.50% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.34% | 98.95% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 83.81% | 91.65% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.10% | 86.33% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.52% | 100.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.75% | 95.83% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.33% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.97% | 93.40% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.82% | 90.24% |
| CHEMBL1938212 | Q9UPP1 | Histone lysine demethylase PHF8 | 80.69% | 98.33% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 80.53% | 91.43% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 80.39% | 99.18% |
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 |
| PubChem | 5460011 |
| LOTUS | LTS0085695 |
| wikiData | Q27103785 |