N-[1-[(2R,5S,6R)-5-[(4S,5S,6R)-5-(dimethylamino)-4-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide
| Internal ID | bac585b0-9c6d-44e6-8520-99463a272de3 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides |
| IUPAC Name | N-[1-[(2R,5S,6R)-5-[(4S,5S,6R)-5-(dimethylamino)-4-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide |
| SMILES (Canonical) | CC1C(CCC(O1)N2C=CC(=NC2=O)NC(=O)CC(C)C)OC3CC(C(C(O3)C)N(C)C)O |
| SMILES (Isomeric) | C[C@@H]1[C@H](CC[C@@H](O1)N2C=CC(=NC2=O)NC(=O)CC(C)C)OC3C[C@@H]([C@@H]([C@H](O3)C)N(C)C)O |
| InChI | InChI=1S/C23H38N4O6/c1-13(2)11-19(29)24-18-9-10-27(23(30)25-18)20-8-7-17(14(3)31-20)33-21-12-16(28)22(26(5)6)15(4)32-21/h9-10,13-17,20-22,28H,7-8,11-12H2,1-6H3,(H,24,25,29,30)/t14-,15-,16+,17+,20-,21?,22-/m1/s1 |
| InChI Key | DCEQEFBUYWDLKA-RUPPQBLLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H38N4O6 |
| Molecular Weight | 466.60 g/mol |
| Exact Mass | 466.27913494 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of N-[1-[(2R,5S,6R)-5-[(4S,5S,6R)-5-(dimethylamino)-4-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide](https://plantaedb.com/storage/docs/compounds/2023/11/efca4160-86df-11ee-b410-f931c1e6b6c9.jpg "2D Structure of N-[1-[(2R,5S,6R)-5-[(4S,5S,6R)-5-(dimethylamino)-4-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]-3-methylbutanamide")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.28% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.55% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.22% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 93.19% | 90.71% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.06% | 95.93% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 90.90% | 93.10% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.89% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.71% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.26% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.16% | 97.09% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 87.83% | 88.84% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.87% | 94.73% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 85.09% | 85.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.24% | 96.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.16% | 96.90% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.51% | 98.59% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.45% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.19% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.03% | 95.89% |
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 | 163108126 |
| LOTUS | LTS0210266 |
| wikiData | Q104975227 |