(15R)-15-methyl-13-oxa-8-azatricyclo[6.5.4.04,12]heptadeca-1,4(12)-diene-3,17-dione
| Internal ID | 0216ec0d-683b-4cf6-a979-b067672f0ea2 |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives |
| IUPAC Name | (15R)-15-methyl-13-oxa-8-azatricyclo[6.5.4.04,12]heptadeca-1,4(12)-diene-3,17-dione |
| SMILES (Canonical) | CC1CC2=CC(=O)C3=C(O2)CCCN(CCC3)C(=O)C1 |
| SMILES (Isomeric) | C[C@@H]1CC2=CC(=O)C3=C(O2)CCCN(CCC3)C(=O)C1 |
| InChI | InChI=1S/C16H21NO3/c1-11-8-12-10-14(18)13-4-2-6-17(16(19)9-11)7-3-5-15(13)20-12/h10-11H,2-9H2,1H3/t11-/m1/s1 |
| InChI Key | PQQVTCJNCABDCQ-LLVKDONJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H21NO3 |
| Molecular Weight | 275.34 g/mol |
| Exact Mass | 275.15214353 g/mol |
| Topological Polar Surface Area (TPSA) | 46.60 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of (15R)-15-methyl-13-oxa-8-azatricyclo[6.5.4.04,12]heptadeca-1,4(12)-diene-3,17-dione](https://plantaedb.com/storage/docs/compounds/2023/11/15r-15-methyl-13-oxa-8-azatricyclo6540412heptadeca-1412-diene-317-dione.jpg "2D Structure of (15R)-15-methyl-13-oxa-8-azatricyclo[6.5.4.04,12]heptadeca-1,4(12)-diene-3,17-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.27% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 96.74% | 93.40% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.52% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.66% | 95.56% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 92.10% | 95.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.00% | 86.33% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 89.25% | 93.04% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.56% | 90.71% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 86.70% | 90.24% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 85.00% | 86.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.78% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.54% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.21% | 85.14% |
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 | 9925547 |
| LOTUS | LTS0143932 |
| wikiData | Q105213385 |