10-Methyl-14-oxa-1,9,12-triazatetracyclo[9.9.0.02,7.013,19]icosa-2,4,6,11,13(19),15,17-heptaene-8,20-dione
| Internal ID | cdec7e1b-8694-4e0a-b42c-de98dc94ca3a |
| Taxonomy | Organoheterocyclic compounds > Pyrimidodiazepines |
| IUPAC Name | 10-methyl-14-oxa-1,9,12-triazatetracyclo[9.9.0.02,7.013,19]icosa-2,4,6,11,13(19),15,17-heptaene-8,20-dione |
| SMILES (Canonical) | CC1C2=NC3=C(C=CC=CO3)C(=O)N2C4=CC=CC=C4C(=O)N1 |
| SMILES (Isomeric) | CC1C2=NC3=C(C=CC=CO3)C(=O)N2C4=CC=CC=C4C(=O)N1 |
| InChI | InChI=1S/C17H13N3O3/c1-10-14-19-16-12(7-4-5-9-23-16)17(22)20(14)13-8-3-2-6-11(13)15(21)18-10/h2-10H,1H3,(H,18,21) |
| InChI Key | QAMUEVCOVRRFPK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H13N3O3 |
| Molecular Weight | 307.30 g/mol |
| Exact Mass | 307.09569129 g/mol |
| Topological Polar Surface Area (TPSA) | 71.00 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of 10-Methyl-14-oxa-1,9,12-triazatetracyclo[9.9.0.02,7.013,19]icosa-2,4,6,11,13(19),15,17-heptaene-8,20-dione](https://plantaedb.com/storage/docs/compounds/2023/11/50988a80-8727-11ee-ac81-0b8b17077909.jpg "2D Structure of 10-Methyl-14-oxa-1,9,12-triazatetracyclo[9.9.0.02,7.013,19]icosa-2,4,6,11,13(19),15,17-heptaene-8,20-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 | 94.11% | 98.95% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 93.10% | 93.65% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.71% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.28% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.24% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.76% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.87% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.45% | 94.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.09% | 82.69% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.06% | 93.40% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.96% | 91.49% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 84.94% | 83.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.13% | 89.63% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 81.86% | 98.46% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.81% | 96.67% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 80.81% | 81.11% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 80.61% | 88.84% |
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 | 78155616 |
| LOTUS | LTS0099062 |
| wikiData | Q104195637 |