(2S,3R,4S,5S,6R)-3,5-dimethoxy-6-(methoxymethyl)oxane-2,4-diol
| Internal ID | 944d4e9f-f833-4e90-bd79-e84103d5de21 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Hexoses |
| IUPAC Name | (2S,3R,4S,5S,6R)-3,5-dimethoxy-6-(methoxymethyl)oxane-2,4-diol |
| SMILES (Canonical) | COCC1C(C(C(C(O1)O)OC)O)OC |
| SMILES (Isomeric) | COC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OC)O)OC |
| InChI | InChI=1S/C9H18O6/c1-12-4-5-7(13-2)6(10)8(14-3)9(11)15-5/h5-11H,4H2,1-3H3/t5-,6+,7-,8-,9+/m1/s1 |
| InChI Key | UTLUVTKMAWSZKV-WUNNTHRKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C9H18O6 |
| Molecular Weight | 222.24 g/mol |
| Exact Mass | 222.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 77.40 Ų |
| XlogP | -1.50 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.85% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.74% | 95.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.07% | 91.11% |
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