3,10,20-Triazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2(7),4,9,11,13(21),14,16,18-nonaene-6,8-dione
| Internal ID | 731ae7c2-6f00-47e1-9eaa-efa130987ee0 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Pyridoacridines > Pyrido[2,3,4-kl]acridines |
| IUPAC Name | 3,10,20-triazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2(7),4,9,11,13(21),14,16,18-nonaene-6,8-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H9N3O2/c22-12-6-8-19-15-14(12)18(23)17-13-10(5-7-20-17)9-3-1-2-4-11(9)21-16(13)15/h1-8H,(H,19,22) |
| InChI Key | WSVYZSQXPUTYLB-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H9N3O2 |
| Molecular Weight | 299.30 g/mol |
| Exact Mass | 299.069476538 g/mol |
| Topological Polar Surface Area (TPSA) | 72.00 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of 3,10,20-Triazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2(7),4,9,11,13(21),14,16,18-nonaene-6,8-dione](https://plantaedb.com/storage/docs/compounds/2023/11/36395070-854c-11ee-a989-ef5a0f7df476.jpg "2D Structure of 3,10,20-Triazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2(7),4,9,11,13(21),14,16,18-nonaene-6,8-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 |
|---|---|---|---|---|
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.82% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.17% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.61% | 95.56% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 93.17% | 96.67% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.75% | 98.95% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 91.37% | 81.14% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 91.16% | 97.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 90.83% | 98.59% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.83% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.77% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.83% | 85.14% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 88.51% | 92.67% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 88.51% | 96.47% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.05% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.68% | 94.75% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.13% | 94.62% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.50% | 91.49% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 83.21% | 95.83% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 82.92% | 96.00% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 82.65% | 95.00% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 82.16% | 80.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.49% | 86.33% |
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 | 12094617 |
| LOTUS | LTS0010448 |
| wikiData | Q105312170 |