2-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3-ethyl-3,4-dihydroxy-4-methylpentoxy)oxane-3,4,5-triol
| Internal ID | 440863c4-1491-472b-96a7-2c7da5fbd9c2 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | 2-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3-ethyl-3,4-dihydroxy-4-methylpentoxy)oxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H36O12/c1-4-19(27,17(2,3)25)5-6-28-15-13(23)12(22)11(21)10(31-15)7-29-16-14(24)18(26,8-20)9-30-16/h10-16,20-27H,4-9H2,1-3H3 |
| InChI Key | KHNZXXJIBLGXDU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H36O12 |
| Molecular Weight | 456.50 g/mol |
| Exact Mass | 456.22067658 g/mol |
| Topological Polar Surface Area (TPSA) | 199.00 Ų |
| XlogP | -3.40 |
| There are no found synonyms. |
![2D Structure of 2-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3-ethyl-3,4-dihydroxy-4-methylpentoxy)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/95df46c0-85f5-11ee-8324-1390a2fa8303.jpg "2D Structure of 2-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3-ethyl-3,4-dihydroxy-4-methylpentoxy)oxane-3,4,5-triol")
| 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 | 97.70% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.57% | 97.25% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 96.13% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.91% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.39% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.21% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.45% | 94.73% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 86.73% | 93.18% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 86.06% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.93% | 86.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.27% | 96.90% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 82.82% | 80.33% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.66% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.18% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.66% | 94.00% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 81.56% | 92.32% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 81.53% | 92.68% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.14% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.04% | 92.94% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 73815016 |
| LOTUS | LTS0231350 |
| wikiData | Q105141255 |