(4aS,5S,7R,8aR)-7-methyl-5-[[(2S)-1-methylpiperidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
| Internal ID | 905b15f6-f4a3-4304-85d5-5a24ba745627 |
| Taxonomy | Organoheterocyclic compounds > Quinolidines |
| IUPAC Name | (4aS,5S,7R,8aR)-7-methyl-5-[[(2S)-1-methylpiperidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline |
| SMILES (Canonical) | CC1CC(C2CCCNC2C1)CC3CCCCN3C |
| SMILES (Isomeric) | C[C@@H]1C[C@H]([C@@H]2CCCN[C@@H]2C1)C[C@@H]3CCCCN3C |
| InChI | InChI=1S/C17H32N2/c1-13-10-14(12-15-6-3-4-9-19(15)2)16-7-5-8-18-17(16)11-13/h13-18H,3-12H2,1-2H3/t13-,14+,15+,16+,17-/m1/s1 |
| InChI Key | AYDXLULURNVBKY-JSRQGNBESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H32N2 |
| Molecular Weight | 264.40 g/mol |
| Exact Mass | 264.256549029 g/mol |
| Topological Polar Surface Area (TPSA) | 15.30 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of (4aS,5S,7R,8aR)-7-methyl-5-[[(2S)-1-methylpiperidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline](https://plantaedb.com/storage/docs/compounds/2023/11/b1724060-8631-11ee-90ba-93ba605db8fb.jpg "2D Structure of (4aS,5S,7R,8aR)-7-methyl-5-[[(2S)-1-methylpiperidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline")
| 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 | 97.35% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.04% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.82% | 95.93% |
| CHEMBL4072 | P07858 | Cathepsin B | 95.08% | 93.67% |
| CHEMBL228 | P31645 | Serotonin transporter | 94.09% | 95.51% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.00% | 97.09% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 90.70% | 90.71% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 90.40% | 95.58% |
| CHEMBL238 | Q01959 | Dopamine transporter | 90.33% | 95.88% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 89.05% | 99.18% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.84% | 93.04% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 86.96% | 98.99% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.52% | 95.50% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 84.31% | 85.83% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 83.46% | 96.03% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 83.05% | 91.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.03% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.61% | 95.89% |
| CHEMBL3023 | Q9NRA0 | Sphingosine kinase 2 | 82.58% | 95.61% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.60% | 91.03% |
| CHEMBL2916 | O14746 | Telomerase reverse transcriptase | 81.26% | 90.00% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 80.92% | 91.65% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 80.68% | 94.78% |
| CHEMBL3105 | P09874 | Poly [ADP-ribose] polymerase-1 | 80.63% | 93.90% |
| CHEMBL1991 | O14920 | Inhibitor of nuclear factor kappa B kinase beta subunit | 80.18% | 97.15% |
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.
| Lycopodiella cernua |
| PubChem | 10061372 |
| LOTUS | LTS0181628 |
| wikiData | Q104978536 |