5-Hydroxy-4-(hydroxymethyl)-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one
| Internal ID | 395b77f7-f593-4a0e-85e7-3af4e05d6945 |
| Taxonomy | Organoheterocyclic compounds > Azaspirodecane derivatives |
| IUPAC Name | 5-hydroxy-4-(hydroxymethyl)-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one |
| SMILES (Canonical) | C1CC2C(=O)CC3C24CCCN(C1)C4CC(C3O)CO |
| SMILES (Isomeric) | C1CC2C(=O)CC3C24CCCN(C1)C4CC(C3O)CO |
| InChI | InChI=1S/C16H25NO3/c18-9-10-7-14-16-4-2-6-17(14)5-1-3-11(16)13(19)8-12(16)15(10)20/h10-12,14-15,18,20H,1-9H2 |
| InChI Key | UABXUHQVNRWPBS-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 | 0.80 |
| There are no found synonyms. |
![2D Structure of 5-Hydroxy-4-(hydroxymethyl)-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/5-hydroxy-4-hydroxymethyl-13-azatetracyclo7700160213hexadecan-8-one.jpg "2D Structure of 5-Hydroxy-4-(hydroxymethyl)-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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.11% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.57% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.96% | 98.95% |
| CHEMBL228 | P31645 | Serotonin transporter | 89.66% | 95.51% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.33% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.54% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.51% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.95% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.21% | 100.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 86.16% | 98.10% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.07% | 93.04% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.69% | 95.56% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 85.20% | 99.29% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.62% | 90.24% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 82.83% | 96.03% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.66% | 93.03% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 81.42% | 91.76% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.15% | 95.93% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.75% | 92.94% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.38% | 92.50% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.24% | 90.08% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.07% | 93.00% |
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 miyoshiana |
| PubChem | 85086397 |
| LOTUS | LTS0222339 |
| wikiData | Q105268598 |