(2R,3R,4S,5S,6R)-2-[(E)-7-hydroxy-3,7-dimethyloct-2-enoxy]-6-[[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
| Internal ID | 1e9f9a9a-34f2-4ac3-8d28-67bed10914d3 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[(E)-7-hydroxy-3,7-dimethyloct-2-enoxy]-6-[[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol |
| SMILES (Canonical) | CC(=CCOC1C(C(C(C(O1)COC2C(C(C(CO2)O)O)O)O)O)O)CCCC(C)(C)O |
| SMILES (Isomeric) | C/C(=C\CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@@H]([C@H](CO2)O)O)O)O)O)O)/CCCC(C)(C)O |
| InChI | InChI=1S/C21H38O11/c1-11(5-4-7-21(2,3)28)6-8-29-20-18(27)16(25)15(24)13(32-20)10-31-19-17(26)14(23)12(22)9-30-19/h6,12-20,22-28H,4-5,7-10H2,1-3H3/b11-6+/t12-,13+,14+,15+,16-,17+,18+,19-,20+/m0/s1 |
| InChI Key | QSGZRCKKGZPIIZ-RPXSYWBFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H38O11 |
| Molecular Weight | 466.50 g/mol |
| Exact Mass | 466.24141202 g/mol |
| Topological Polar Surface Area (TPSA) | 179.00 Ų |
| XlogP | -2.10 |
| There are no found synonyms. |
![2D Structure of (2R,3R,4S,5S,6R)-2-[(E)-7-hydroxy-3,7-dimethyloct-2-enoxy]-6-[[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/a9089e40-8546-11ee-a685-ddcbf9240e30.jpg "2D Structure of (2R,3R,4S,5S,6R)-2-[(E)-7-hydroxy-3,7-dimethyloct-2-enoxy]-6-[[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.39% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.83% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.41% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.59% | 94.73% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 89.31% | 92.51% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.83% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.43% | 97.09% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 86.58% | 97.78% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.12% | 91.49% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.92% | 96.61% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.91% | 95.93% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.36% | 92.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.05% | 99.17% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 82.03% | 92.68% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.82% | 86.33% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 81.81% | 80.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.16% | 96.90% |
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.
| Rhodiola crenulata |
| Rhodiola rosea |
| PubChem | 163043589 |
| LOTUS | LTS0127102 |
| wikiData | Q105226992 |