Circumdatin G
| Internal ID | 70277ceb-8163-488f-8cdb-8923ed043611 |
| Taxonomy | Organoheterocyclic compounds > Pyrimidodiazepines |
| IUPAC Name | (7S)-9-hydroxy-7-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione |
| SMILES (Canonical) | CC1C2=NC3=C(C=CC=C3O)C(=O)N2C4=CC=CC=C4C(=O)N1 |
| SMILES (Isomeric) | C[C@H]1C2=NC3=C(C=CC=C3O)C(=O)N2C4=CC=CC=C4C(=O)N1 |
| InChI | InChI=1S/C17H13N3O3/c1-9-15-19-14-11(6-4-8-13(14)21)17(23)20(15)12-7-3-2-5-10(12)16(22)18-9/h2-9,21H,1H3,(H,18,22)/t9-/m0/s1 |
| InChI Key | VNCYXASDDCJEJE-VIFPVBQESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H13N3O3 |
| Molecular Weight | 307.30 g/mol |
| Exact Mass | 307.09569129 g/mol |
| Topological Polar Surface Area (TPSA) | 82.00 Ų |
| XlogP | 1.60 |
| CHEMBL2375799 |
| (7S)-9-hydroxy-7-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-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 |
|---|---|---|---|---|
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 97.92% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.68% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.61% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.41% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.83% | 91.49% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.75% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.73% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.11% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.31% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.87% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.98% | 99.15% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.74% | 93.03% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.44% | 82.69% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.94% | 93.65% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 83.24% | 96.39% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.01% | 89.00% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 82.75% | 80.78% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.26% | 96.67% |
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 | 10804637 |
| LOTUS | LTS0206113 |
| wikiData | Q77517451 |