(2R,3R,4S,5R,6S)-4-[(2S,3S,4S)-3,4-dihydroxy-4-methoxyoxolan-2-yl]oxy-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxane-3,5-diol
| Internal ID | 1a00712b-2d64-4f8e-a452-fac3dc80a8a2 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | (2R,3R,4S,5R,6S)-4-[(2S,3S,4S)-3,4-dihydroxy-4-methoxyoxolan-2-yl]oxy-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxane-3,5-diol |
| SMILES (Canonical) | COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)OC3C(C(CO3)(O)OC)O)O)OC)C=CCO |
| SMILES (Isomeric) | COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@@](CO3)(O)OC)O)O)OC)/C=C/CO |
| InChI | InChI=1S/C22H32O13/c1-29-12-7-11(5-4-6-23)8-13(30-2)17(12)34-20-16(26)18(15(25)14(9-24)33-20)35-21-19(27)22(28,31-3)10-32-21/h4-5,7-8,14-16,18-21,23-28H,6,9-10H2,1-3H3/b5-4+/t14-,15-,16-,18+,19+,20+,21+,22+/m1/s1 |
| InChI Key | XAQYJBISYKLVEE-SWAXMWKRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H32O13 |
| Molecular Weight | 504.50 g/mol |
| Exact Mass | 504.18429107 g/mol |
| Topological Polar Surface Area (TPSA) | 186.00 Ų |
| XlogP | -1.70 |
| There are no found synonyms. |
![2D Structure of (2R,3R,4S,5R,6S)-4-[(2S,3S,4S)-3,4-dihydroxy-4-methoxyoxolan-2-yl]oxy-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxane-3,5-diol](https://plantaedb.com/storage/docs/compounds/2023/11/2cf03a30-8743-11ee-9ad9-a92a488d43c0.jpg "2D Structure of (2R,3R,4S,5R,6S)-4-[(2S,3S,4S)-3,4-dihydroxy-4-methoxyoxolan-2-yl]oxy-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxane-3,5-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 | 98.99% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.82% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.69% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.33% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.32% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.05% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.12% | 94.45% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 88.32% | 92.98% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.10% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.63% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.96% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.40% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.00% | 98.95% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 83.87% | 89.44% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.27% | 92.62% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.00% | 91.07% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.74% | 91.03% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.40% | 97.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.33% | 99.17% |
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.
| Tinospora sinensis |
| PubChem | 163190760 |
| LOTUS | LTS0224723 |
| wikiData | Q105324070 |