N-[(2R)-2-methoxy-2-(12-oxo-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,13,15-octaen-10-yl)ethyl]acetamide
| Internal ID | d6967452-e935-426d-90c8-d71bd49160dc |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Pyridoacridones > Pyrido[2,3,4-kl]acridones |
| IUPAC Name | N-[(2R)-2-methoxy-2-(12-oxo-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,13,15-octaen-10-yl)ethyl]acetamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H17N3O3/c1-11(24)22-10-17(26-2)14-9-16(25)20-18-13(7-8-21-20)12-5-3-4-6-15(12)23-19(14)18/h3-9,17H,10H2,1-2H3,(H,22,24)/t17-/m0/s1 |
| InChI Key | XVMDNDSXCKCUAI-KRWDZBQOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H17N3O3 |
| Molecular Weight | 347.40 g/mol |
| Exact Mass | 347.12699141 g/mol |
| Topological Polar Surface Area (TPSA) | 81.20 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of N-[(2R)-2-methoxy-2-(12-oxo-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,13,15-octaen-10-yl)ethyl]acetamide](https://plantaedb.com/storage/docs/compounds/2023/11/1794eb10-85ae-11ee-af08-15b442c9024f.jpg "2D Structure of N-[(2R)-2-methoxy-2-(12-oxo-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,13,15-octaen-10-yl)ethyl]acetamide")
| 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 | 99.74% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.29% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.53% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.50% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.24% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.44% | 83.82% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.25% | 99.23% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 91.13% | 96.47% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.09% | 94.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 91.01% | 96.67% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.10% | 96.00% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 89.92% | 95.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 89.49% | 98.59% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.42% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.17% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.54% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.02% | 94.73% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 83.79% | 97.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.52% | 91.49% |
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 | 162845918 |
| LOTUS | LTS0130213 |
| wikiData | Q105342963 |