(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-hydroxy-4-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
| Internal ID | fd07ed95-f51c-4621-a1b3-e204ccdd41d3 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | (2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-hydroxy-4-(hydroxymethyl)phenoxy]oxane-3,4,5-triol |
| SMILES (Canonical) | C1C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C=C(C=C3)CO)O)O)O)O)O)(CO)O |
| SMILES (Isomeric) | C1[C@@]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C=C(C=C3)CO)O)O)O)O)O)(CO)O |
| InChI | InChI=1S/C18H26O12/c19-4-8-1-2-10(9(21)3-8)29-16-14(24)13(23)12(22)11(30-16)5-27-17-15(25)18(26,6-20)7-28-17/h1-3,11-17,19-26H,4-7H2/t11-,12-,13+,14-,15+,16-,17-,18-/m1/s1 |
| InChI Key | CADAXVRWMWSEQX-FQXXIRCGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H26O12 |
| Molecular Weight | 434.40 g/mol |
| Exact Mass | 434.14242626 g/mol |
| Topological Polar Surface Area (TPSA) | 199.00 Ų |
| XlogP | -3.30 |
| There are no found synonyms. |
![2D Structure of (2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-hydroxy-4-(hydroxymethyl)phenoxy]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/dc6b6d70-8586-11ee-9364-e11429629c98.jpg "2D Structure of (2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-hydroxy-4-(hydroxymethyl)phenoxy]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 | 98.55% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.35% | 95.93% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.68% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.68% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.44% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.33% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.98% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.01% | 96.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.22% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.28% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.16% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.06% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.46% | 86.33% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 84.20% | 83.57% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.16% | 86.92% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 83.21% | 95.83% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.98% | 90.00% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 81.79% | 96.69% |
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.
| Strychnos axillaris |
| PubChem | 101844698 |
| LOTUS | LTS0182779 |
| wikiData | Q104950960 |