(1S,3R,5S,8S,10R,16S)-8-hydroxy-3-methyl-17-oxa-12-azapentacyclo[8.6.1.01,12.05,16.08,16]heptadecan-7-one
| Internal ID | e73b7c92-4fca-497d-b2d9-5292217bc0c6 |
| Taxonomy | Organoheterocyclic compounds > Azaspirodecane derivatives |
| IUPAC Name | (1S,3R,5S,8S,10R,16S)-8-hydroxy-3-methyl-17-oxa-12-azapentacyclo[8.6.1.01,12.05,16.08,16]heptadecan-7-one |
| SMILES (Canonical) | CC1CC2CC(=O)C3(C24CCCN5C4(C1)OC(C3)C5)O |
| SMILES (Isomeric) | C[C@@H]1C[C@H]2CC(=O)[C@]3([C@]24CCCN5[C@@]4(C1)O[C@H](C3)C5)O |
| InChI | InChI=1S/C16H23NO3/c1-10-5-11-6-13(18)15(19)8-12-9-17-4-2-3-14(11,15)16(17,7-10)20-12/h10-12,19H,2-9H2,1H3/t10-,11+,12-,14+,15-,16+/m1/s1 |
| InChI Key | QVOJMRPDSSVIPI-YQYNMMILSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H23NO3 |
| Molecular Weight | 277.36 g/mol |
| Exact Mass | 277.16779360 g/mol |
| Topological Polar Surface Area (TPSA) | 49.80 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of (1S,3R,5S,8S,10R,16S)-8-hydroxy-3-methyl-17-oxa-12-azapentacyclo[8.6.1.01,12.05,16.08,16]heptadecan-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/b40661b0-8748-11ee-8b48-0db9a05c7b82.jpg "2D Structure of (1S,3R,5S,8S,10R,16S)-8-hydroxy-3-methyl-17-oxa-12-azapentacyclo[8.6.1.01,12.05,16.08,16]heptadecan-7-one")
| 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 | 93.14% | 96.09% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 91.92% | 93.04% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.38% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.73% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.46% | 98.95% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 87.45% | 99.29% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.41% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.40% | 91.11% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 85.89% | 91.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.26% | 90.71% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.93% | 98.03% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.75% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.53% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.58% | 95.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.56% | 93.03% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.24% | 85.14% |
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 | 101251439 |
| LOTUS | LTS0104758 |
| wikiData | Q105228784 |