(8-Hydroxy-6-methyl-2-oxo-13-azatetracyclo[7.7.0.01,13.04,9]hexadecan-5-yl) 2-(4-methoxyphenyl)acetate
| Internal ID | f39c51dd-f5b0-4262-a5e2-61a9dc51fb99 |
| Taxonomy | Organoheterocyclic compounds > Azaspirodecane derivatives |
| IUPAC Name | (8-hydroxy-6-methyl-2-oxo-13-azatetracyclo[7.7.0.01,13.04,9]hexadecan-5-yl) 2-(4-methoxyphenyl)acetate |
| SMILES (Canonical) | CC1CC(C23CCCN4C2(CCC4)C(=O)CC3C1OC(=O)CC5=CC=C(C=C5)OC)O |
| SMILES (Isomeric) | CC1CC(C23CCCN4C2(CCC4)C(=O)CC3C1OC(=O)CC5=CC=C(C=C5)OC)O |
| InChI | InChI=1S/C25H33NO5/c1-16-13-20(27)24-9-3-11-26-12-4-10-25(24,26)21(28)15-19(24)23(16)31-22(29)14-17-5-7-18(30-2)8-6-17/h5-8,16,19-20,23,27H,3-4,9-15H2,1-2H3 |
| InChI Key | WGOOPTFIDGLATG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H33NO5 |
| Molecular Weight | 427.50 g/mol |
| Exact Mass | 427.23587315 g/mol |
| Topological Polar Surface Area (TPSA) | 76.10 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of (8-Hydroxy-6-methyl-2-oxo-13-azatetracyclo[7.7.0.01,13.04,9]hexadecan-5-yl) 2-(4-methoxyphenyl)acetate](https://plantaedb.com/storage/docs/compounds/2023/11/ed927b80-8628-11ee-bf81-c791e9eb563f.jpg "2D Structure of (8-Hydroxy-6-methyl-2-oxo-13-azatetracyclo[7.7.0.01,13.04,9]hexadecan-5-yl) 2-(4-methoxyphenyl)acetate")
| 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 | 98.95% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.33% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.82% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.01% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.73% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.99% | 94.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.44% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.84% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.02% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.84% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.57% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.33% | 82.69% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.55% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.83% | 94.45% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.82% | 95.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.68% | 93.00% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 82.65% | 91.96% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.53% | 91.07% |
| CHEMBL1741221 | Q9Y4P1 | Cysteine protease ATG4B | 80.90% | 87.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.28% | 96.95% |
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 | 73082410 |
| LOTUS | LTS0192886 |
| wikiData | Q105304682 |