(2R,3S,4S,5S)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
| Internal ID | 0d100ed0-183b-4013-9108-5fb542637d9f |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides > Aminocyclitol glycosides |
| IUPAC Name | (2R,3S,4S,5S)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H40N4O10/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19/h6-19,24-30H,4-5,21-23H2,1-3H3/t6-,7+,8-,9-,10-,11+,12+,13+,14-,15-,16+,17+,18-,19-,20-/m1/s1 |
| InChI Key | BRZYSWJRSDMWLG-LFFSKFPTSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H40N4O10 |
| Molecular Weight | 496.60 g/mol |
| Exact Mass | 496.27444349 g/mol |
| Topological Polar Surface Area (TPSA) | 248.00 Ų |
| XlogP | -5.80 |
| There are no found synonyms. |
![2D Structure of (2R,3S,4S,5S)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol](https://plantaedb.com/storage/docs/compounds/2023/11/c7b2dad0-864a-11ee-b963-67289882c096.jpg "2D Structure of (2R,3S,4S,5S)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.34% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.78% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.57% | 97.09% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 94.88% | 95.58% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.82% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.62% | 94.45% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 90.24% | 92.88% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.41% | 95.93% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.09% | 96.38% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 88.88% | 91.03% |
| CHEMBL204 | P00734 | Thrombin | 87.94% | 96.01% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.91% | 96.47% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 87.22% | 95.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.12% | 95.89% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 85.61% | 98.75% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 85.27% | 92.86% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.60% | 89.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.96% | 90.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.32% | 97.14% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 82.95% | 85.31% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 82.33% | 95.71% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.07% | 91.07% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.71% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.40% | 92.94% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.21% | 97.25% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.85% | 97.79% |
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 | 162888700 |
| LOTUS | LTS0102910 |
| wikiData | Q104945114 |