2-Methyl-6-[[3,4,5-trihydroxy-6-[4-(1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl)but-3-en-2-yloxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
| Internal ID | 5f238d12-f2f6-4bd9-9174-848c7df4b056 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | 2-methyl-6-[[3,4,5-trihydroxy-6-[4-(1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl)but-3-en-2-yloxy]oxan-2-yl]methoxy]oxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H44O13/c1-11(6-7-25(34)23(3,4)8-13(26)9-24(25,5)33)36-22-20(32)18(30)16(28)14(38-22)10-35-21-19(31)17(29)15(27)12(2)37-21/h6-7,11-22,26-34H,8-10H2,1-5H3 |
| InChI Key | FGWBZEUKIFDRDD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H44O13 |
| Molecular Weight | 552.60 g/mol |
| Exact Mass | 552.27819145 g/mol |
| Topological Polar Surface Area (TPSA) | 219.00 Ų |
| XlogP | -3.20 |
| There are no found synonyms. |
![2D Structure of 2-Methyl-6-[[3,4,5-trihydroxy-6-[4-(1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl)but-3-en-2-yloxy]oxan-2-yl]methoxy]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/6ec56a30-860a-11ee-a5ec-016dd411af1e.jpg "2D Structure of 2-Methyl-6-[[3,4,5-trihydroxy-6-[4-(1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl)but-3-en-2-yloxy]oxan-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 |
|---|---|---|---|---|
| CHEMBL226 | P30542 | Adenosine A1 receptor | 97.46% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.94% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.83% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.94% | 97.25% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 91.40% | 85.31% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.77% | 91.49% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.38% | 90.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.07% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.29% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.37% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.12% | 97.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.65% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.50% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.48% | 89.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.97% | 92.86% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.25% | 95.89% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 81.04% | 92.32% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.00% | 96.47% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.84% | 97.36% |
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.
| Amaranthus caudatus |
| PubChem | 163047310 |
| LOTUS | LTS0018378 |
| wikiData | Q104995093 |