(1R,5R,8S)-5,8-dihydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecan-2-one
| Internal ID | 1649c2b9-2a45-442d-9cbb-c7bad36dcc4e |
| Taxonomy | Organoheterocyclic compounds > Azaspirodecane derivatives |
| IUPAC Name | (1R,5R,8S)-5,8-dihydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecan-2-one |
| SMILES (Canonical) | CC1CC(C23CCCN4C2(CCC4)C(=O)CC3C1O)O |
| SMILES (Isomeric) | CC1C[C@@H](C23CCCN4[C@@]2(CCC4)C(=O)CC3[C@@H]1O)O |
| InChI | InChI=1S/C16H25NO3/c1-10-8-12(18)15-4-2-6-17-7-3-5-16(15,17)13(19)9-11(15)14(10)20/h10-12,14,18,20H,2-9H2,1H3/t10?,11?,12-,14+,15?,16-/m0/s1 |
| InChI Key | XPIVPCYGYLMOCY-LHXUHSBRSA-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 | 0.70 |
| There are no found synonyms. |
![2D Structure of (1R,5R,8S)-5,8-dihydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/1r5r8s-58-dihydroxy-6-methyl-13-azatetracyclo7700113049hexadecan-2-one.jpg "2D Structure of (1R,5R,8S)-5,8-dihydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecan-2-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 | 97.08% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.54% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.00% | 98.95% |
| CHEMBL238 | Q01959 | Dopamine transporter | 90.18% | 95.88% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.79% | 97.25% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.76% | 82.69% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.27% | 93.04% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.48% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.17% | 97.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.60% | 93.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.12% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.81% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.60% | 100.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.69% | 90.24% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.12% | 94.00% |
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 |
| Huperzia serrata |
| PubChem | 6326010 |
| LOTUS | LTS0204878 |
| wikiData | Q105338438 |