(1S,4S,6S,8R)-8-Hydroxy-1,3,3-trimethyl-2-oxabicyclo[2.2.2]oct-6-yl beta-D-glucopyranoside
| Internal ID | d05905cf-b944-4930-8f7a-25a41bfe576c |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,4S,6S,8R)-8-hydroxy-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl]oxy]oxane-3,4,5-triol |
| SMILES (Canonical) | CC1(C2CC(C(O1)(CC2O)C)OC3C(C(C(C(O3)CO)O)O)O)C |
| SMILES (Isomeric) | C[C@]12C[C@H]([C@H](C[C@@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(O2)(C)C)O |
| InChI | InChI=1S/C16H28O8/c1-15(2)7-4-10(16(3,24-15)5-8(7)18)23-14-13(21)12(20)11(19)9(6-17)22-14/h7-14,17-21H,4-6H2,1-3H3/t7-,8+,9+,10-,11+,12-,13+,14-,16-/m0/s1 |
| InChI Key | ZAYDZFSAMSYTBB-YUCDAHLNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H28O8 |
| Molecular Weight | 348.39 g/mol |
| Exact Mass | 348.17841785 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | -1.40 |
| (1S,4S,6S,8R)-8-Hydroxy-1,3,3-trimethyl-2-oxabicyclo[2.2.2]oct-6-yl beta-D-glucopyranoside |
| 219583-17-2 |
![2D Structure of (1S,4S,6S,8R)-8-Hydroxy-1,3,3-trimethyl-2-oxabicyclo[2.2.2]oct-6-yl beta-D-glucopyranoside](https://plantaedb.com/storage/docs/compounds/2023/11/1s4s6s8r-8-hydroxy-133-trimethyl-2-oxabicyclo222oct-6-yl-beta-d-glucopyranoside.jpg "2D Structure of (1S,4S,6S,8R)-8-Hydroxy-1,3,3-trimethyl-2-oxabicyclo[2.2.2]oct-6-yl beta-D-glucopyranoside")
| 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 | 97.14% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.42% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.59% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.85% | 91.11% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.71% | 96.61% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.61% | 95.93% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.70% | 97.79% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.74% | 86.33% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 83.77% | 97.64% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.63% | 97.25% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 83.06% | 97.36% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.51% | 95.83% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.87% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.22% | 100.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.40% | 86.92% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.32% | 92.86% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.20% | 92.94% |
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.
| Foeniculum vulgare |
| PubChem | 10593828 |
| LOTUS | LTS0230001 |
| wikiData | Q105370329 |