Oxepinamide J
| Internal ID | 8eee6da0-07d0-4742-9481-e05b2e5bb83b |
| Taxonomy | Organoheterocyclic compounds > Diazines > Pyrimidines and pyrimidine derivatives > Pyrimidones |
| IUPAC Name | (4R,7R)-4-benzyl-4-hydroxy-7-methyl-15-oxa-2,5,8-triazatricyclo[8.5.0.03,8]pentadeca-1(10),2,11,13-tetraene-6,9-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H17N3O4/c1-12-15(23)21-19(25,11-13-7-3-2-4-8-13)18-20-16-14(17(24)22(12)18)9-5-6-10-26-16/h2-10,12,25H,11H2,1H3,(H,21,23)/t12-,19-/m1/s1 |
| InChI Key | LTIOSJQYEGEEHY-CWTRNNRKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H17N3O4 |
| Molecular Weight | 351.40 g/mol |
| Exact Mass | 351.12190603 g/mol |
| Topological Polar Surface Area (TPSA) | 91.20 Ų |
| XlogP | 1.30 |
| Oxepinamide J |
| BDBM50524074 |
| 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 | 94.44% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.02% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.93% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.21% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.96% | 94.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.43% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.73% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.95% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.41% | 94.73% |
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.
| There are no matching plants. |
| PubChem | 145720951 |
| LOTUS | LTS0085811 |
| wikiData | Q105156961 |