3-Oxa-12,20-diazapentacyclo[10.8.0.01,5.06,11.014,19]icosa-6,8,10,14,16,18-hexaene-4,13-dione
| Internal ID | 9988678d-3ce3-4255-aaaf-8be611d93f56 |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinazolines |
| IUPAC Name | 3-oxa-12,20-diazapentacyclo[10.8.0.01,5.06,11.014,19]icosa-6,8,10,14,16,18-hexaene-4,13-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H12N2O3/c20-15-10-5-1-3-7-12(10)18-17-9-22-16(21)14(17)11-6-2-4-8-13(11)19(15)17/h1-8,14,18H,9H2 |
| InChI Key | YVTWVVANWZQLQY-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C17H12N2O3 |
| Molecular Weight | 292.29 g/mol |
| Exact Mass | 292.08479225 g/mol |
| Topological Polar Surface Area (TPSA) | 58.60 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of 3-Oxa-12,20-diazapentacyclo[10.8.0.01,5.06,11.014,19]icosa-6,8,10,14,16,18-hexaene-4,13-dione](https://plantaedb.com/storage/docs/compounds/2023/11/3-oxa-1220-diazapentacyclo1080015061101419icosa-6810141618-hexaene-413-dione.jpg "2D Structure of 3-Oxa-12,20-diazapentacyclo[10.8.0.01,5.06,11.014,19]icosa-6,8,10,14,16,18-hexaene-4,13-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 | 96.20% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.86% | 91.11% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.61% | 89.63% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.09% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.49% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.17% | 82.69% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.01% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.62% | 93.40% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.58% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.22% | 85.14% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 85.08% | 95.48% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.64% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.40% | 97.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.43% | 86.33% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 80.93% | 83.00% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 80.80% | 96.25% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.36% | 94.62% |
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.
| Phaius mishmensis |
| PubChem | 24970703 |
| LOTUS | LTS0073768 |
| wikiData | Q105365977 |