(7S,8aS)-5-[[(4S,6S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-7-methyl-1,2,3,4,6,7,8,8a-octahydroquinoline
| Internal ID | bd279a6c-2b88-45ea-89af-9ea531a08f89 |
| Taxonomy | Organoheterocyclic compounds > Quinolizines |
| IUPAC Name | (7S,8aS)-5-[[(4S,6S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-7-methyl-1,2,3,4,6,7,8,8a-octahydroquinoline |
| SMILES (Canonical) | CC1CC(N2C(C1)CCCC2CC3=C4CCCNC4CC(C3)C)C |
| SMILES (Isomeric) | C[C@@H]1C[C@@H](N2[C@H](C1)CCC[C@H]2CC3=C4CCCN[C@H]4C[C@H](C3)C)C |
| InChI | InChI=1S/C22H38N2/c1-15-10-17(3)24-19(12-15)6-4-7-20(24)14-18-11-16(2)13-22-21(18)8-5-9-23-22/h15-17,19-20,22-23H,4-14H2,1-3H3/t15-,16+,17+,19+,20+,22+/m1/s1 |
| InChI Key | MSWQKAVBJREPEZ-GDFHFJBCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H38N2 |
| Molecular Weight | 330.50 g/mol |
| Exact Mass | 330.303499221 g/mol |
| Topological Polar Surface Area (TPSA) | 15.30 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of (7S,8aS)-5-[[(4S,6S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-7-methyl-1,2,3,4,6,7,8,8a-octahydroquinoline](https://plantaedb.com/storage/docs/compounds/2023/11/99b39a20-83f8-11ee-95d3-d16a189ad423.jpg "2D Structure of (7S,8aS)-5-[[(4S,6S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-7-methyl-1,2,3,4,6,7,8,8a-octahydroquinoline")
| 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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.06% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.98% | 96.09% |
| CHEMBL228 | P31645 | Serotonin transporter | 93.88% | 95.51% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.23% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.71% | 98.95% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 84.63% | 91.76% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.17% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.95% | 95.56% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 82.26% | 90.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.24% | 96.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.86% | 89.62% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 81.70% | 95.58% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 81.37% | 96.03% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.23% | 93.99% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 81.21% | 91.43% |
| CHEMBL238 | Q01959 | Dopamine transporter | 80.87% | 95.88% |
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 | 10019564 |
| LOTUS | LTS0240085 |
| wikiData | Q105171494 |