(1R,2S,10S,11S,13S,15R)-17-oxa-6-azapentacyclo[13.2.1.01,6.02,10.02,13]octadecan-11-ol
| Internal ID | 45daf87d-a841-4962-9f40-083ff16293e5 |
| Taxonomy | Organoheterocyclic compounds > Azaspirodecane derivatives |
| IUPAC Name | (1R,2S,10S,11S,13S,15R)-17-oxa-6-azapentacyclo[13.2.1.01,6.02,10.02,13]octadecan-11-ol |
| SMILES (Canonical) | C1CC2C(CC3C24CCCN(C1)C45CC(C3)CO5)O |
| SMILES (Isomeric) | C1C[C@@H]2[C@H](C[C@H]3[C@@]24CCCN(C1)[C@@]45C[C@@H](C3)CO5)O |
| InChI | InChI=1S/C16H25NO2/c18-14-8-12-7-11-9-16(19-10-11)15(12)4-2-6-17(16)5-1-3-13(14)15/h11-14,18H,1-10H2/t11-,12+,13-,14+,15+,16-/m1/s1 |
| InChI Key | DQJFGXOYJSJAPX-YUDUXTHKSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C16H25NO2 |
| Molecular Weight | 263.37 g/mol |
| Exact Mass | 263.188529040 g/mol |
| Topological Polar Surface Area (TPSA) | 32.70 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of (1R,2S,10S,11S,13S,15R)-17-oxa-6-azapentacyclo[13.2.1.01,6.02,10.02,13]octadecan-11-ol](https://plantaedb.com/storage/docs/compounds/2023/11/1r2s10s11s13s15r-17-oxa-6-azapentacyclo132101602100213octadecan-11-ol.jpg "2D Structure of (1R,2S,10S,11S,13S,15R)-17-oxa-6-azapentacyclo[13.2.1.01,6.02,10.02,13]octadecan-11-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.93% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.87% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.79% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.87% | 91.11% |
| CHEMBL238 | Q01959 | Dopamine transporter | 90.25% | 95.88% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.21% | 92.94% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 89.85% | 98.10% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.67% | 95.50% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.96% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.49% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.28% | 93.04% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 85.95% | 91.38% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.00% | 96.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.42% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.36% | 94.45% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 83.42% | 95.00% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 82.68% | 92.50% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 82.20% | 95.58% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.47% | 95.93% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 80.96% | 99.29% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 80.72% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.55% | 89.00% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 80.51% | 96.69% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.30% | 91.49% |
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 serrata |
| PubChem | 15549048 |
| LOTUS | LTS0114676 |
| wikiData | Q104667116 |