2-[3-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | 23d77d22-6894-4649-98e4-8f36ccfc5db3 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | 2-[3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H36O13/c1-35-17-11-15(6-7-16(17)31)25(40-27-24(34)23(33)22(32)20(12-29)39-27)21(13-30)38-26-18(36-2)9-14(5-4-8-28)10-19(26)37-3/h4-7,9-11,20-25,27-34H,8,12-13H2,1-3H3 |
| InChI Key | BPUKWANBFFNAJE-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H36O13 |
| Molecular Weight | 568.60 g/mol |
| Exact Mass | 568.21559120 g/mol |
| Topological Polar Surface Area (TPSA) | 197.00 Ų |
| XlogP | -0.20 |
| erythro-Guaiacylglycerol |A-sinapyl ether 7-O-glucoside |
| 2-[3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
![2D Structure of 2-[3-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/erythro-guaiacylglycerol-a-sinapyl-ether-7-o-glucoside.jpg "2D Structure of 2-[3-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]propoxy]-6-(hydroxymethyl)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 | 99.20% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 97.09% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.63% | 96.09% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 93.39% | 92.68% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 92.95% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.81% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.74% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.62% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.26% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.31% | 99.15% |
| CHEMBL3194 | P02766 | Transthyretin | 82.69% | 90.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.57% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.70% | 86.33% |
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.
| Capparis flavicans |
| PubChem | 75224289 |
| LOTUS | LTS0069434 |
| wikiData | Q104944058 |