(1S,2S,4R,6S,9S,11S)-2,11-dihydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one
| Internal ID | 4eab8a6d-8739-495c-b01b-1cd31a2bceed |
| Taxonomy | Organoheterocyclic compounds > Azaspirodecane derivatives |
| IUPAC Name | (1S,2S,4R,6S,9S,11S)-2,11-dihydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one |
| SMILES (Canonical) | CC1CC2CC(=O)C3C24CCCN(C4(C1)O)CC(C3)O |
| SMILES (Isomeric) | C[C@@H]1C[C@H]2CC(=O)[C@@H]3[C@]24CCCN([C@@]4(C1)O)C[C@H](C3)O |
| InChI | InChI=1S/C16H25NO3/c1-10-5-11-6-14(19)13-7-12(18)9-17-4-2-3-15(11,13)16(17,20)8-10/h10-13,18,20H,2-9H2,1H3/t10-,11+,12+,13-,15+,16+/m1/s1 |
| InChI Key | IWGHBXTWOUGIEC-XDJSOMLNSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H25NO3 |
| Molecular Weight | 279.37 g/mol |
| Exact Mass | 279.18344366 g/mol |
| Topological Polar Surface Area (TPSA) | 60.80 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of (1S,2S,4R,6S,9S,11S)-2,11-dihydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/1s2s4r6s9s11s-211-dihydroxy-4-methyl-13-azatetracyclo7700160213hexadecan-8-one.jpg "2D Structure of (1S,2S,4R,6S,9S,11S)-2,11-dihydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.76% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.64% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.88% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.88% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.34% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.47% | 95.56% |
| CHEMBL238 | Q01959 | Dopamine transporter | 84.35% | 95.88% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.41% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.40% | 86.33% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.38% | 96.61% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 83.24% | 94.78% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.57% | 89.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.39% | 93.03% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 81.87% | 99.29% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.77% | 93.04% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.60% | 82.69% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.57% | 99.23% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.98% | 93.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.85% | 90.71% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.47% | 92.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.45% | 91.11% |
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 | 101206187 |
| LOTUS | LTS0202007 |
| wikiData | Q105121605 |