(7S,8aS)-5-[[(4S,8S,9aS)-6,8-dimethyl-1,2,3,4,7,8,9,9a-octahydroquinolizin-5-ium-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline
| Internal ID | dde1343f-243e-4d41-a880-b480b955c773 |
| Taxonomy | Organoheterocyclic compounds > Quinolizines |
| IUPAC Name | (7S,8aS)-5-[[(4S,8S,9aS)-6,8-dimethyl-1,2,3,4,7,8,9,9a-octahydroquinolizin-5-ium-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline |
| SMILES (Canonical) | CC1CC2CCCC([N+]2=C(C1)C)CC3=C4CCCN(C4CC(C3)C)C |
| SMILES (Isomeric) | C[C@H]1C[C@@H]2CCC[C@H]([N+]2=C(C1)C)CC3=C4CCCN([C@H]4C[C@H](C3)C)C |
| InChI | InChI=1S/C23H39N2/c1-16-11-18(3)25-20(13-16)7-5-8-21(25)15-19-12-17(2)14-23-22(19)9-6-10-24(23)4/h16-17,20-21,23H,5-15H2,1-4H3/q+1/t16-,17+,20+,21+,23+/m1/s1 |
| InChI Key | OQDUBIXUEUDROW-DIEZWCIUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H39N2+ |
| Molecular Weight | 343.60 g/mol |
| Exact Mass | 343.311324253 g/mol |
| Topological Polar Surface Area (TPSA) | 6.30 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of (7S,8aS)-5-[[(4S,8S,9aS)-6,8-dimethyl-1,2,3,4,7,8,9,9a-octahydroquinolizin-5-ium-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline](https://plantaedb.com/storage/docs/compounds/2023/11/656846f0-85ab-11ee-8fe3-ad7ed5d65ef9.jpg "2D Structure of (7S,8aS)-5-[[(4S,8S,9aS)-6,8-dimethyl-1,2,3,4,7,8,9,9a-octahydroquinolizin-5-ium-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.52% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 90.80% | 89.76% |
| CHEMBL228 | P31645 | Serotonin transporter | 90.51% | 95.51% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.87% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.29% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.41% | 93.40% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.21% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.06% | 97.25% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 87.03% | 99.18% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 85.07% | 90.71% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 83.93% | 98.46% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 83.91% | 86.00% |
| CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 83.71% | 95.27% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.47% | 82.38% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.12% | 97.05% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.92% | 91.49% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.87% | 95.50% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 81.81% | 91.76% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 81.56% | 91.79% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.48% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.05% | 95.93% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 80.88% | 91.43% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.41% | 90.24% |
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 | 11725009 |
| LOTUS | LTS0121382 |
| wikiData | Q105196737 |