[(2R,4S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
| Internal ID | eab0273c-d8e2-429f-a5a9-fec1adf02cb2 |
| Taxonomy | Alkaloids and derivatives > Cinchona alkaloids |
| IUPAC Name | [(2R,4S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol |
| SMILES (Canonical) | C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O |
| SMILES (Isomeric) | C=CC1CN2CC[C@H]1C[C@@H]2C(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/t13?,14-,18+,19?/m0/s1 |
| InChI Key | KMPWYEUPVWOPIM-RUAQEJLXSA-N |
| Popularity | 85 references in papers |
| Molecular Formula | C19H22N2O |
| Molecular Weight | 294.40 g/mol |
| Exact Mass | 294.173213330 g/mol |
| Topological Polar Surface Area (TPSA) | 36.40 Ų |
| XlogP | 2.70 |
| Q-100084 |
![2D Structure of [(2R,4S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol](https://plantaedb.com/storage/docs/compounds/2023/11/2r4s-5-ethenyl-1-azabicyclo222octan-2-yl-quinolin-4-ylmethanol.jpg "2D Structure of [(2R,4S)-5-ethenyl-1-azabicyclo[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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 96.43% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.07% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.31% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.66% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.31% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.94% | 95.56% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 87.88% | 98.33% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 87.72% | 92.98% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 87.58% | 93.81% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 87.22% | 95.83% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 86.08% | 91.43% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 85.94% | 94.23% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 85.17% | 94.08% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.70% | 95.89% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 84.48% | 96.47% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.67% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.27% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.86% | 98.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.64% | 89.62% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.08% | 100.00% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 80.72% | 88.42% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.45% | 94.62% |
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.
| Ciliosemina pedunculata |
| Cinchona calisaya |
| Cinchona officinalis |
| Cinchona pubescens |
| Neolamarckia cadamba |
| PubChem | 92131260 |
| LOTUS | LTS0099009 |
| wikiData | Q104252725 |