(2R,3R,4R,5R)-2-[(1S)-2-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-1-hydroxyethyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol
| Internal ID | e3bb2c0b-73e0-46a4-8ac8-22dd0f8ba8e9 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | (2R,3R,4R,5R)-2-[(1S)-2-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-1-hydroxyethyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol |
| SMILES (Canonical) | C1C(C(C(O1)OCC(C2C(C(C(N2)CO)O)O)O)O)(CO)O |
| SMILES (Isomeric) | C1[C@@]([C@H]([C@@H](O1)OC[C@H]([C@@H]2[C@H]([C@@H]([C@H](N2)CO)O)O)O)O)(CO)O |
| InChI | InChI=1S/C12H23NO9/c14-1-5-8(17)9(18)7(13-5)6(16)2-21-11-10(19)12(20,3-15)4-22-11/h5-11,13-20H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-/m1/s1 |
| InChI Key | QEGKMWNUSCPRPO-FYKVHUBJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H23NO9 |
| Molecular Weight | 325.31 g/mol |
| Exact Mass | 325.13728131 g/mol |
| Topological Polar Surface Area (TPSA) | 172.00 Ų |
| XlogP | -3.60 |
| There are no found synonyms. |
![2D Structure of (2R,3R,4R,5R)-2-[(1S)-2-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-1-hydroxyethyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol](https://plantaedb.com/storage/docs/compounds/2023/11/7f05a1c0-8364-11ee-acd6-8f8342aaf28f.jpg "2D Structure of (2R,3R,4R,5R)-2-[(1S)-2-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-1-hydroxyethyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.86% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.68% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.82% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.50% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.94% | 95.93% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 88.97% | 98.75% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.01% | 86.92% |
| CHEMBL2360 | P00492 | Hypoxanthine-guanine phosphoribosyltransferase | 83.65% | 87.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.54% | 95.89% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.10% | 98.59% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.94% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.94% | 98.95% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.71% | 92.88% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.85% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.21% | 89.00% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 80.03% | 89.67% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.02% | 93.18% |
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.
| Hyacinthoides non-scripta |
| PubChem | 100989165 |
| LOTUS | LTS0062338 |
| wikiData | Q105219193 |