Circumdatin I
| Internal ID | ecc3e034-5590-4154-b00f-069e51857eb3 |
| Taxonomy | Organoheterocyclic compounds > Pyrimidodiazepines |
| IUPAC Name | (7S)-3,9-dihydroxy-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=C(C=C(C=C4)O)C(=O)N1 |
| SMILES (Isomeric) | C[C@H]1C2=NC3=C(C=CC=C3O)C(=O)N2C4=C(C=C(C=C4)O)C(=O)N1 |
| InChI | InChI=1S/C17H13N3O4/c1-8-15-19-14-10(3-2-4-13(14)22)17(24)20(15)12-6-5-9(21)7-11(12)16(23)18-8/h2-8,21-22H,1H3,(H,18,23)/t8-/m0/s1 |
| InChI Key | FNYZNOYSZSYMAX-QMMMGPOBSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H13N3O4 |
| Molecular Weight | 323.30 g/mol |
| Exact Mass | 323.09060590 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 1.20 |
| (7S)-3,9-Dihydroxy-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.83% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 97.15% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.75% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.71% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.81% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.28% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.66% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.14% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.92% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.63% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.98% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.90% | 91.49% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.50% | 93.40% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 84.40% | 85.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 83.81% | 96.39% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.11% | 93.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.07% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.51% | 91.11% |
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 | 24778407 |
| LOTUS | LTS0176553 |
| wikiData | Q77572843 |