(2R,3R,4S,5R,6R)-5-[(2R,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-(4-hydroxy-3-methoxyphenoxy)-2-(hydroxymethyl)oxane-3,4-diol
| Internal ID | 67552454-68de-41c3-ac17-fbddfcdd3976 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | (2R,3R,4S,5R,6R)-5-[(2R,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-(4-hydroxy-3-methoxyphenoxy)-2-(hydroxymethyl)oxane-3,4-diol |
| SMILES (Canonical) | COC1=C(C=CC(=C1)OC2C(C(C(C(O2)CO)O)O)OC3C(C(CO3)(CO)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O[C@@H]3[C@@H]([C@@](CO3)(CO)O)O)O |
| InChI | InChI=1S/C18H26O12/c1-26-10-4-8(2-3-9(10)21)28-16-14(13(23)12(22)11(5-19)29-16)30-17-15(24)18(25,6-20)7-27-17/h2-4,11-17,19-25H,5-7H2,1H3/t11-,12+,13+,14-,15+,16+,17-,18+/m1/s1 |
| InChI Key | PGQMRTLJEMEERX-QBJZWIGBSA-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) | 188.00 Ų |
| XlogP | -1.80 |
| There are no found synonyms. |
![2D Structure of (2R,3R,4S,5R,6R)-5-[(2R,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-(4-hydroxy-3-methoxyphenoxy)-2-(hydroxymethyl)oxane-3,4-diol](https://plantaedb.com/storage/docs/compounds/2023/11/f2aba250-8745-11ee-a655-33b14429ea68.jpg "2D Structure of (2R,3R,4S,5R,6R)-5-[(2R,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-(4-hydroxy-3-methoxyphenoxy)-2-(hydroxymethyl)oxane-3,4-diol")
| 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 | 99.60% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 96.90% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.06% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 94.06% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.93% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.35% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.05% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.64% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.40% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.38% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.06% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.28% | 86.33% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 87.67% | 97.36% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.02% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.31% | 99.15% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.69% | 91.03% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.34% | 99.17% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.16% | 91.07% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.03% | 93.18% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.46% | 92.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.02% | 97.14% |
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.
| Markhamia stipulata |
| PubChem | 636593 |
| LOTUS | LTS0198398 |
| wikiData | Q105208606 |