(4aR,5R,7R,8aR)-1,7-dimethyl-5-[(1-oxido-2,3,4,5-tetrahydropyridin-1-ium-6-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
| Internal ID | 130d8504-be27-4e10-8077-b7bf5b3df969 |
| Taxonomy | Organoheterocyclic compounds > Quinolidines |
| IUPAC Name | (4aR,5R,7R,8aR)-1,7-dimethyl-5-[(1-oxido-2,3,4,5-tetrahydropyridin-1-ium-6-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline |
| SMILES (Canonical) | CC1CC(C2CCCN(C2C1)C)CC3=[N+](CCCC3)[O-] |
| SMILES (Isomeric) | C[C@@H]1C[C@@H]([C@H]2CCCN([C@@H]2C1)C)CC3=[N+](CCCC3)[O-] |
| InChI | InChI=1S/C17H30N2O/c1-13-10-14(12-15-6-3-4-9-19(15)20)16-7-5-8-18(2)17(16)11-13/h13-14,16-17H,3-12H2,1-2H3/t13-,14-,16-,17-/m1/s1 |
| InChI Key | WOJLHVINQPZVFH-MUIFIZLQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H30N2O |
| Molecular Weight | 278.40 g/mol |
| Exact Mass | 278.235813585 g/mol |
| Topological Polar Surface Area (TPSA) | 32.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of (4aR,5R,7R,8aR)-1,7-dimethyl-5-[(1-oxido-2,3,4,5-tetrahydropyridin-1-ium-6-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline](https://plantaedb.com/storage/docs/compounds/2023/11/0fb40b70-8622-11ee-84d8-1d0e37f9793d.jpg "2D Structure of (4aR,5R,7R,8aR)-1,7-dimethyl-5-[(1-oxido-2,3,4,5-tetrahydropyridin-1-ium-6-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.58% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.42% | 96.09% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 93.27% | 99.18% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.13% | 98.95% |
| CHEMBL238 | Q01959 | Dopamine transporter | 90.97% | 95.88% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 87.89% | 98.46% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.31% | 93.99% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.28% | 95.93% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 85.36% | 90.71% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 85.33% | 91.76% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.05% | 97.09% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 84.94% | 92.38% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.90% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.73% | 95.89% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 83.09% | 94.78% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.42% | 95.50% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 82.20% | 94.01% |
| CHEMBL4235 | P28845 | 11-beta-hydroxysteroid dehydrogenase 1 | 81.98% | 97.98% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 81.44% | 95.34% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.35% | 93.04% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.05% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.42% | 95.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.14% | 100.00% |
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.
| Huperzia serrata |
| PubChem | 102011504 |
| LOTUS | LTS0217651 |
| wikiData | Q105309543 |