CID 139589082
| Internal ID | f287e2d9-6315-423e-90a3-581a1c8e3aa4 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides > Aminocyclitol glycosides |
| IUPAC Name | 2-[4-amino-3-[3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2,6-dihydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H40N4O8/c1-20(28)8-29-19(14(27)17(20)24-3)32-16-12(25)6-11(22)15(13(16)26)31-18-10(21)5-4-9(30-18)7-23-2/h9-19,23-28H,4-8,21-22H2,1-3H3 |
| InChI Key | RNBRFANQNIXKOX-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H40N4O8 |
| Molecular Weight | 464.60 g/mol |
| Exact Mass | 464.28461425 g/mol |
| Topological Polar Surface Area (TPSA) | 194.00 Ų |
| XlogP | -4.30 |
| SU-3 |
| (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-amino-3-[(2R,3R,6S)-3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2,6-dihydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol |
| 6-O-(4-C-Methyl-3-methylamino-3-deoxy-beta-L-arabinopyranosyl)-4-O-(2-amino-6-methylamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl)-3-amino-2,3-dideoxy-D-myo-inositol |
| 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 | 97.65% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.35% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.17% | 96.09% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 93.19% | 97.53% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.89% | 95.93% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 92.75% | 95.58% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 87.78% | 93.18% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.45% | 96.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.24% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.56% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.34% | 95.89% |
| CHEMBL1974 | P36888 | Tyrosine-protein kinase receptor FLT3 | 84.18% | 91.83% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.99% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.74% | 94.33% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.95% | 94.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 82.50% | 95.17% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.21% | 97.14% |
| CHEMBL5028 | O14672 | ADAM10 | 82.06% | 97.50% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.05% | 96.21% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.86% | 95.50% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.83% | 96.77% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 81.62% | 97.03% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.99% | 91.07% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 80.79% | 82.86% |
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 | 139589082 |
| LOTUS | LTS0033323 |
| wikiData | Q104196763 |