8-Ethyl-4,6-dihydroxy-3-methoxy-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
| Internal ID | b83081f7-e7bc-47b8-a478-3a6b29fcf987 |
| Taxonomy | Organoheterocyclic compounds > Benzodiazepines > 1,4-benzodiazepines |
| IUPAC Name | 8-ethyl-4,6-dihydroxy-3-methoxy-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H18N2O4/c1-3-8-6-10-14(19)16-12-9(15(20)17(10)7-8)4-5-11(21-2)13(12)18/h4-5,7,10,14,16,18-19H,3,6H2,1-2H3 |
| InChI Key | YKBYRAOPZZWMOE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H18N2O4 |
| Molecular Weight | 290.31 g/mol |
| Exact Mass | 290.12665706 g/mol |
| Topological Polar Surface Area (TPSA) | 82.00 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of 8-Ethyl-4,6-dihydroxy-3-methoxy-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one](https://plantaedb.com/storage/docs/compounds/2023/11/8-ethyl-46-dihydroxy-3-methoxy-566a7-tetrahydropyrrolo21-c14benzodiazepin-11-one.jpg "2D Structure of 8-Ethyl-4,6-dihydroxy-3-methoxy-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.41% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.12% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.35% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.50% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.38% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.90% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.47% | 97.25% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.15% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.92% | 93.99% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.20% | 90.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.79% | 89.62% |
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 | 74834018 |
| LOTUS | LTS0202206 |
| wikiData | Q104201786 |