(1R,2S,4R,9S)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-6-en-8-one
| Internal ID | e9bc1997-444c-4d3f-ba7c-77774e731a45 |
| Taxonomy | Organoheterocyclic compounds > Azaspirodecane derivatives |
| IUPAC Name | (1R,2S,4R,9S)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-6-en-8-one |
| SMILES (Canonical) | CC1CC2=CC(=O)C3C24CCCN(C4(C1)O)CCC3 |
| SMILES (Isomeric) | C[C@@H]1CC2=CC(=O)[C@@H]3[C@]24CCCN([C@@]4(C1)O)CCC3 |
| InChI | InChI=1S/C16H23NO2/c1-11-8-12-9-14(18)13-4-2-6-17-7-3-5-15(12,13)16(17,19)10-11/h9,11,13,19H,2-8,10H2,1H3/t11-,13-,15+,16+/m1/s1 |
| InChI Key | JBWYUUXMJCWYCM-OYNZBZHQSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H23NO2 |
| Molecular Weight | 261.36 g/mol |
| Exact Mass | 261.172878976 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of (1R,2S,4R,9S)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-6-en-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/1r2s4r9s-2-hydroxy-4-methyl-13-azatetracyclo7700160213hexadec-6-en-8-one.jpg "2D Structure of (1R,2S,4R,9S)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-6-en-8-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.01% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.99% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.37% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.62% | 85.14% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.46% | 93.04% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.78% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.22% | 97.09% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 86.46% | 94.78% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 85.51% | 90.24% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.21% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.04% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.80% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.08% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.01% | 92.94% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.13% | 82.69% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.00% | 93.03% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.95% | 93.99% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 82.85% | 95.62% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 82.57% | 99.29% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.40% | 89.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.33% | 95.93% |
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 | 12966920 |
| LOTUS | LTS0139231 |
| wikiData | Q105124624 |