2,9-Dihydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one
| Internal ID | b1b62e10-0ba5-4e3a-9cfa-72e00a19ba54 |
| Taxonomy | Organoheterocyclic compounds > Azaspirodecane derivatives |
| IUPAC Name | 2,9-dihydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one |
| SMILES (Canonical) | CC1CC2CC(=O)C3(C24CCCN(C4(C1)O)CCC3)O |
| SMILES (Isomeric) | CC1CC2CC(=O)C3(C24CCCN(C4(C1)O)CCC3)O |
| InChI | InChI=1S/C16H25NO3/c1-11-8-12-9-13(18)15(19)5-3-7-17-6-2-4-14(12,15)16(17,20)10-11/h11-12,19-20H,2-10H2,1H3 |
| InChI Key | PBTGBPAHHPAEDR-UHFFFAOYSA-N |
| Popularity | 0 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 | 1.10 |
| There are no found synonyms. |
![2D Structure of 2,9-Dihydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/29-dihydroxy-4-methyl-13-azatetracyclo7700160213hexadecan-8-one.jpg "2D Structure of 2,9-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.89% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.35% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.30% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.14% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.55% | 98.95% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.25% | 93.04% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.72% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.14% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.88% | 92.94% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.85% | 93.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.70% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.27% | 94.75% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 81.24% | 99.29% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.16% | 82.69% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.15% | 98.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.84% | 86.33% |
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 | 5252360 |
| LOTUS | LTS0068870 |
| wikiData | Q105205432 |