Ochrazepine B
| Internal ID | 451f3bad-55e5-42b3-9599-f7d86b2d1529 |
| Taxonomy | Organoheterocyclic compounds > Pyrimidodiazepines |
| IUPAC Name | (7S)-2-hydroxy-3-[(1R,2S)-2-hydroxy-1-[(2R,3S)-3-hydroxy-2-methyl-6-oxo-2,3-dihydropyran-5-yl]propoxy]-7-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H25N3O8/c1-11-23-28-17-7-5-4-6-14(17)25(34)29(23)18-10-20(32)21(9-15(18)24(33)27-11)37-22(12(2)30)16-8-19(31)13(3)36-26(16)35/h4-13,19,22,30-32H,1-3H3,(H,27,33)/t11-,12-,13+,19-,22-/m0/s1 |
| InChI Key | MRZXHXHWDUNABW-FEGBBNGISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H25N3O8 |
| Molecular Weight | 507.50 g/mol |
| Exact Mass | 507.16416476 g/mol |
| Topological Polar Surface Area (TPSA) | 158.00 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.41% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.55% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.09% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 96.88% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.35% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.89% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.16% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.87% | 89.00% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 88.73% | 83.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.78% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.23% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.84% | 98.75% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.53% | 94.75% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 85.88% | 92.98% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.64% | 95.50% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.54% | 96.21% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.30% | 93.03% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.22% | 90.20% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.17% | 99.17% |
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 | 146682991 |
| LOTUS | LTS0085195 |
| wikiData | Q105171031 |