(6aS)-4-hydroxy-3-methyl-8-[(E)-prop-1-enyl]-6a,7-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
| Internal ID | a95d8c61-5784-49ed-b570-bebb21e559a6 |
| Taxonomy | Organoheterocyclic compounds > Benzodiazepines > 1,4-benzodiazepines |
| IUPAC Name | (6aS)-4-hydroxy-3-methyl-8-[(E)-prop-1-enyl]-6a,7-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione |
| SMILES (Canonical) | CC=CC1=CN2C(C1)C(=O)NC3=C(C2=O)C=CC(=C3O)C |
| SMILES (Isomeric) | C/C=C/C1=CN2[C@@H](C1)C(=O)NC3=C(C2=O)C=CC(=C3O)C |
| InChI | InChI=1S/C16H16N2O3/c1-3-4-10-7-12-15(20)17-13-11(16(21)18(12)8-10)6-5-9(2)14(13)19/h3-6,8,12,19H,7H2,1-2H3,(H,17,20)/b4-3+/t12-/m0/s1 |
| InChI Key | QVMOQPKRVNMMQP-PCAWENJQSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H16N2O3 |
| Molecular Weight | 284.31 g/mol |
| Exact Mass | 284.11609238 g/mol |
| Topological Polar Surface Area (TPSA) | 69.60 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of (6aS)-4-hydroxy-3-methyl-8-[(E)-prop-1-enyl]-6a,7-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione](https://plantaedb.com/storage/docs/compounds/2023/11/569d9d30-863b-11ee-811a-271f1aa73d7d.jpg "2D Structure of (6aS)-4-hydroxy-3-methyl-8-[(E)-prop-1-enyl]-6a,7-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-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 | 97.85% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.56% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.56% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.40% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.07% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.93% | 89.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 88.67% | 90.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.62% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.55% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.40% | 97.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.10% | 93.03% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.89% | 93.40% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.49% | 99.23% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 83.78% | 96.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.49% | 100.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.38% | 90.24% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.03% | 90.00% |
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.
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| There are no matching plants. |
| PubChem | 102449829 |
| LOTUS | LTS0126838 |
| wikiData | Q105228750 |