7-methyl-5-[[8-methyl-6-(piperidin-2-ylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbaldehyde
| Internal ID | 4c7e27d3-090b-43d5-b737-bee6a1c1826e |
| Taxonomy | Organoheterocyclic compounds > Quinolizines |
| IUPAC Name | 7-methyl-5-[[8-methyl-6-(piperidin-2-ylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbaldehyde |
| SMILES (Canonical) | CC1CC2CCCC(N2C(C1)CC3CCCCN3)CC4CC(CC5C4CCCN5C=O)C |
| SMILES (Isomeric) | CC1CC2CCCC(N2C(C1)CC3CCCCN3)CC4CC(CC5C4CCCN5C=O)C |
| InChI | InChI=1S/C28H49N3O/c1-20-13-22(27-10-6-12-30(19-32)28(27)16-20)17-25-9-5-8-24-14-21(2)15-26(31(24)25)18-23-7-3-4-11-29-23/h19-29H,3-18H2,1-2H3 |
| InChI Key | CHJLCZFYWUQFLI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H49N3O |
| Molecular Weight | 443.70 g/mol |
| Exact Mass | 443.38756320 g/mol |
| Topological Polar Surface Area (TPSA) | 35.60 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
![2D Structure of 7-methyl-5-[[8-methyl-6-(piperidin-2-ylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/33b48c70-8674-11ee-9cbb-9b99dfa64cde.jpg "2D Structure of 7-methyl-5-[[8-methyl-6-(piperidin-2-ylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbaldehyde")
| 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 | 97.15% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.03% | 97.09% |
| CHEMBL228 | P31645 | Serotonin transporter | 93.89% | 95.51% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.81% | 98.95% |
| CHEMBL238 | Q01959 | Dopamine transporter | 93.33% | 95.88% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.33% | 96.09% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 91.04% | 96.03% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 90.79% | 98.99% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 89.07% | 91.76% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.99% | 95.50% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 88.46% | 99.18% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 88.01% | 99.29% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.02% | 89.62% |
| CHEMBL2916 | O14746 | Telomerase reverse transcriptase | 85.95% | 90.00% |
| CHEMBL3837 | P07711 | Cathepsin L | 85.57% | 96.61% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 85.26% | 99.17% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 85.02% | 95.58% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.63% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.47% | 94.45% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.67% | 96.21% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.27% | 90.24% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 81.84% | 94.78% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 81.60% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.14% | 95.56% |
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 miyoshiana |
| PubChem | 74951601 |
| LOTUS | LTS0069857 |
| wikiData | Q104958874 |