(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(E,2R)-4-[(1R,4S,6R)-4-hydroxy-2,2,6-trimethylcyclohexyl]but-3-en-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
| Internal ID | 336387d5-792d-45cb-91a2-d7df451ab152 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | (2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(E,2R)-4-[(1R,4S,6R)-4-hydroxy-2,2,6-trimethylcyclohexyl]but-3-en-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol |
| SMILES (Canonical) | CC1CC(CC(C1C=CC(C)OC2C(C(C(C(O2)COC3C(C(C(C(O3)C)O)O)O)O)O)O)(C)C)O |
| SMILES (Isomeric) | C[C@@H]1C[C@@H](CC([C@H]1/C=C/[C@@H](C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O)O)O)O)O)(C)C)O |
| InChI | InChI=1S/C25H44O11/c1-11-8-14(26)9-25(4,5)15(11)7-6-12(2)34-24-22(32)20(30)18(28)16(36-24)10-33-23-21(31)19(29)17(27)13(3)35-23/h6-7,11-24,26-32H,8-10H2,1-5H3/b7-6+/t11-,12-,13+,14+,15+,16-,17+,18-,19-,20+,21-,22-,23-,24-/m1/s1 |
| InChI Key | SJCKSZODVMIIBJ-CKNCUORMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H44O11 |
| Molecular Weight | 520.60 g/mol |
| Exact Mass | 520.28836222 g/mol |
| Topological Polar Surface Area (TPSA) | 179.00 Ų |
| XlogP | -0.90 |
| There are no found synonyms. |
![2D Structure of (2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(E,2R)-4-[(1R,4S,6R)-4-hydroxy-2,2,6-trimethylcyclohexyl]but-3-en-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/4d517e80-861f-11ee-a1d8-5350490524cb.jpg "2D Structure of (2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(E,2R)-4-[(1R,4S,6R)-4-hydroxy-2,2,6-trimethylcyclohexyl]but-3-en-2-yl]oxyoxan-2-yl]methoxy]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 | 98.04% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 97.90% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.42% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.39% | 97.25% |
| CHEMBL203 | P00533 | Epidermal growth factor receptor erbB1 | 91.53% | 97.34% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.44% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.54% | 97.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.62% | 96.47% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.48% | 91.49% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 84.77% | 85.31% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.71% | 96.95% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.56% | 96.61% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.22% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.17% | 98.95% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.05% | 95.71% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 82.94% | 97.78% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.69% | 89.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.63% | 97.36% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.47% | 89.05% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.47% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.14% | 100.00% |
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.
| Sedum sarmentosum |
| PubChem | 16216865 |
| LOTUS | LTS0070935 |
| wikiData | Q105254199 |