3-(Methoxycarbonyl)propyl beta-D-glucopyranoside
| Internal ID | 5c6f83c5-8aef-417a-b3f6-1e74b1f2a3ec |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | methyl 4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate |
| SMILES (Canonical) | COC(=O)CCCOC1C(C(C(C(O1)CO)O)O)O |
| SMILES (Isomeric) | COC(=O)CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| InChI | InChI=1S/C11H20O8/c1-17-7(13)3-2-4-18-11-10(16)9(15)8(14)6(5-12)19-11/h6,8-12,14-16H,2-5H2,1H3/t6-,8-,9+,10-,11-/m1/s1 |
| InChI Key | RKCVEZHHZBFDSD-WVTGURRWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C11H20O8 |
| Molecular Weight | 280.27 g/mol |
| Exact Mass | 280.11581759 g/mol |
| Topological Polar Surface Area (TPSA) | 126.00 Ų |
| XlogP | -1.90 |
| 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 | 97.28% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.25% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.42% | 99.17% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.92% | 92.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.51% | 94.33% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 87.49% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.24% | 94.73% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.92% | 91.24% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 84.78% | 94.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.22% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.92% | 98.95% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.99% | 96.21% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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