(1S,2R,4R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-ol
| Internal ID | 63559f36-fe9e-4117-9b80-ada050a2d9c5 |
| Taxonomy | Alkaloids and derivatives > Lupin alkaloids > Sparteine, lupanine, and related alkaloids |
| IUPAC Name | (1S,2R,4R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-ol |
| SMILES (Canonical) | C1CCN2CC3CC(C2C1)CN4C3CC(CC4)O |
| SMILES (Isomeric) | C1CCN2C[C@@H]3C[C@H]([C@@H]2C1)CN4[C@@H]3C[C@@H](CC4)O |
| InChI | InChI=1S/C15H26N2O/c18-13-4-6-17-9-11-7-12(15(17)8-13)10-16-5-2-1-3-14(11)16/h11-15,18H,1-10H2/t11-,12-,13+,14-,15+/m0/s1 |
| InChI Key | MMXKVQSOWVEFOB-SBJFKYEJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H26N2O |
| Molecular Weight | 250.38 g/mol |
| Exact Mass | 250.204513457 g/mol |
| Topological Polar Surface Area (TPSA) | 26.70 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of (1S,2R,4R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-ol](https://plantaedb.com/storage/docs/compounds/2023/11/1s2r4r9s10s-715-diazatetracyclo77102701015heptadecan-4-ol.jpg "2D Structure of (1S,2R,4R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL3023 | Q9NRA0 | Sphingosine kinase 2 | 94.36% | 95.61% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.08% | 97.25% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 90.94% | 96.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.29% | 97.09% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 87.31% | 94.78% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 86.72% | 98.10% |
| CHEMBL4235 | P28845 | 11-beta-hydroxysteroid dehydrogenase 1 | 86.64% | 97.98% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.46% | 95.89% |
| CHEMBL238 | Q01959 | Dopamine transporter | 86.37% | 95.88% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.85% | 95.50% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.14% | 93.04% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.93% | 96.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.72% | 93.03% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.27% | 98.33% |
| CHEMBL4355 | O14976 | Serine/threonine-protein kinase GAK | 82.08% | 89.32% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 82.01% | 98.99% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.32% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.24% | 92.94% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 81.03% | 98.46% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.13% | 91.03% |
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.
| Genista anatolica |
| Thermopsis mongolica |
| PubChem | 21625702 |
| LOTUS | LTS0133524 |
| wikiData | Q105168173 |