(8E)-2-[(2S,3R,4R,5S,6S)-3,4-dihydroxy-4,6-dimethyl-5-(methylamino)oxan-2-yl]oxy-8-propylidene-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
| Internal ID | 0e3c2533-2d43-46d3-b4c4-8622c61766a5 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides |
| IUPAC Name | (8E)-2-[(2S,3R,4R,5S,6S)-3,4-dihydroxy-4,6-dimethyl-5-(methylamino)oxan-2-yl]oxy-8-propylidene-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H31N3O5/c1-5-6-14-9-15-11-25-18-8-7-16(10-17(18)21(28)26(15)12-14)31-22-20(27)23(3,29)19(24-4)13(2)30-22/h6-8,10-11,13,15,19-20,22,24,27,29H,5,9,12H2,1-4H3/b14-6+/t13-,15?,19-,20-,22-,23+/m0/s1 |
| InChI Key | JEZZKSQFJNWDCY-ZQBBTFQLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H31N3O5 |
| Molecular Weight | 429.50 g/mol |
| Exact Mass | 429.22637110 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
![2D Structure of (8E)-2-[(2S,3R,4R,5S,6S)-3,4-dihydroxy-4,6-dimethyl-5-(methylamino)oxan-2-yl]oxy-8-propylidene-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one](https://plantaedb.com/storage/docs/compounds/2023/11/dc358500-861d-11ee-923f-a76c3e61bdad.jpg "2D Structure of (8E)-2-[(2S,3R,4R,5S,6S)-3,4-dihydroxy-4,6-dimethyl-5-(methylamino)oxan-2-yl]oxy-8-propylidene-7,9-dihydro-6aH-pyrrolo[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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.99% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.59% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.35% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.05% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.76% | 91.49% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.26% | 95.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.07% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.83% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.19% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.77% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.06% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.06% | 90.71% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.15% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.45% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.15% | 97.09% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.37% | 95.83% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 81.88% | 95.53% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 81.58% | 87.67% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.52% | 85.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.43% | 96.77% |
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 | 20841333 |
| LOTUS | LTS0106032 |
| wikiData | Q105126535 |