1-[(4aR,5R,7R,8aR)-5-[[(4R,6R,8S,9aR)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
| Internal ID | 39f3bb47-1c1a-4455-b3ba-1d80a77407a8 |
| Taxonomy | Organoheterocyclic compounds > Quinolizines |
| IUPAC Name | 1-[(4aR,5R,7R,8aR)-5-[[(4R,6R,8S,9aR)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone |
| SMILES (Canonical) | CC1CC(N2C(C1)CCCC2CC3CC(CC4C3CCCN4C(=O)C)C)C |
| SMILES (Isomeric) | C[C@H]1C[C@H](N2[C@@H](C1)CCC[C@@H]2C[C@H]3C[C@H](C[C@@H]4[C@@H]3CCCN4C(=O)C)C)C |
| InChI | InChI=1S/C24H42N2O/c1-16-11-18(3)26-21(13-16)7-5-8-22(26)15-20-12-17(2)14-24-23(20)9-6-10-25(24)19(4)27/h16-18,20-24H,5-15H2,1-4H3/t16-,17+,18+,20+,21+,22+,23+,24+/m0/s1 |
| InChI Key | HFNMGMIQDABDGI-ZVJILXNOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H42N2O |
| Molecular Weight | 374.60 g/mol |
| Exact Mass | 374.329713967 g/mol |
| Topological Polar Surface Area (TPSA) | 23.60 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
![2D Structure of 1-[(4aR,5R,7R,8aR)-5-[[(4R,6R,8S,9aR)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone](https://plantaedb.com/storage/docs/compounds/2023/11/19b846b0-841a-11ee-9bc8-8d5cf1e92f3c.jpg "2D Structure of 1-[(4aR,5R,7R,8aR)-5-[[(4R,6R,8S,9aR)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone")
| 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 | 97.16% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.82% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.12% | 96.95% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.92% | 98.95% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 90.99% | 96.03% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.96% | 91.19% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 87.80% | 99.18% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.96% | 96.47% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.34% | 85.14% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 85.73% | 98.33% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.64% | 82.38% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 84.19% | 95.58% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.92% | 97.21% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.77% | 89.62% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.23% | 95.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.42% | 94.33% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 82.21% | 91.76% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.21% | 90.24% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.20% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.55% | 97.09% |
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 | 162956424 |
| LOTUS | LTS0137627 |
| wikiData | Q105027410 |