Marinoazepinone B
| Internal ID | 3ccfa772-8225-410d-a3e8-f0b3e86f4637 |
| Taxonomy | Organoheterocyclic compounds > Benzazepines |
| IUPAC Name | 5-(4-hydroxyphenyl)-5,6-dihydro-3H-pyrrolo[2,3-d][1]benzazepin-4-one |
| SMILES (Canonical) | C1=CC=C2C(=C1)C3=C(C(=O)C(N2)C4=CC=C(C=C4)O)NC=C3 |
| SMILES (Isomeric) | C1=CC=C2C(=C1)C3=C(C(=O)C(N2)C4=CC=C(C=C4)O)NC=C3 |
| InChI | InChI=1S/C18H14N2O2/c21-12-7-5-11(6-8-12)16-18(22)17-14(9-10-19-17)13-3-1-2-4-15(13)20-16/h1-10,16,19-21H |
| InChI Key | MTPQIGRKLLBYHA-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H14N2O2 |
| Molecular Weight | 290.30 g/mol |
| Exact Mass | 290.105527694 g/mol |
| Topological Polar Surface Area (TPSA) | 65.10 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
| 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 | 96.43% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.91% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.29% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.37% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.25% | 82.69% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.78% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.05% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.14% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.73% | 98.75% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 82.96% | 89.67% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.90% | 90.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.42% | 93.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.87% | 89.00% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 80.99% | 95.48% |
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 | 139587111 |
| LOTUS | LTS0056818 |
| wikiData | Q77521625 |