9-hydroxy-3-[(6-hydroxy-1H-indol-3-yl)methyl]-6-(3-methylbut-2-enyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
| Internal ID | a592c0d2-6fe6-438f-99a8-261c8193d841 |
| Taxonomy | Organoheterocyclic compounds > Benzodiazepines > 1,4-benzodiazepines |
| IUPAC Name | 9-hydroxy-3-[(6-hydroxy-1H-indol-3-yl)methyl]-6-(3-methylbut-2-enyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H23N3O4/c1-12(2)3-4-13-5-8-19(28)21-20(13)23(30)25-18(22(29)26-21)9-14-11-24-17-10-15(27)6-7-16(14)17/h3,5-8,10-11,18,24,27-28H,4,9H2,1-2H3,(H,25,30)(H,26,29) |
| InChI Key | WTCPFXAMIWMDMP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H23N3O4 |
| Molecular Weight | 405.40 g/mol |
| Exact Mass | 405.16885622 g/mol |
| Topological Polar Surface Area (TPSA) | 114.00 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of 9-hydroxy-3-[(6-hydroxy-1H-indol-3-yl)methyl]-6-(3-methylbut-2-enyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione](https://plantaedb.com/storage/docs/compounds/2023/11/89cc8720-853a-11ee-b38b-6bb7de4ee6a1.jpg "2D Structure of 9-hydroxy-3-[(6-hydroxy-1H-indol-3-yl)methyl]-6-(3-methylbut-2-enyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.83% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.33% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.76% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.07% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.24% | 94.75% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 92.64% | 95.56% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 91.41% | 83.10% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.47% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.37% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.44% | 83.82% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 87.84% | 91.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.72% | 89.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.59% | 98.59% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.34% | 92.62% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.67% | 89.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.09% | 99.15% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 85.23% | 88.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.58% | 94.62% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 84.48% | 97.28% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 84.44% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.26% | 97.09% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.97% | 91.71% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.37% | 93.40% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.63% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.92% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.50% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.02% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.95% | 98.75% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162961581 |
| LOTUS | LTS0100754 |
| wikiData | Q104200610 |