[3,4-Dihydroxy-5-[[3,4,5-trihydroxy-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl 4-hydroxybenzoate
| Internal ID | 47988840-5207-4826-9514-1e25bb26d0a3 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | [3,4-dihydroxy-5-[[3,4,5-trihydroxy-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl 4-hydroxybenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H32O14/c1-35-17-8-13(9-27)2-7-16(17)39-24-21(31)20(30)19(29)18(40-24)10-36-25-22(32)26(34,12-38-25)11-37-23(33)14-3-5-15(28)6-4-14/h2-8,18-22,24-25,27-32,34H,9-12H2,1H3 |
| InChI Key | FLLLEVXQNGRTCK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H32O14 |
| Molecular Weight | 568.50 g/mol |
| Exact Mass | 568.17920569 g/mol |
| Topological Polar Surface Area (TPSA) | 214.00 Ų |
| XlogP | -1.60 |
| There are no found synonyms. |
![2D Structure of [3,4-Dihydroxy-5-[[3,4,5-trihydroxy-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl 4-hydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/56725f90-8686-11ee-aac4-95061928e29c.jpg "2D Structure of [3,4-Dihydroxy-5-[[3,4,5-trihydroxy-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl 4-hydroxybenzoate")
| 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 | 97.32% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.25% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.71% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.33% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.66% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.22% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.52% | 98.95% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 90.18% | 96.69% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.32% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.22% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.17% | 92.94% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.79% | 95.93% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.72% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.20% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.12% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.85% | 89.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 87.34% | 96.90% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.94% | 85.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.10% | 97.14% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.02% | 92.50% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 82.80% | 89.44% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.94% | 93.99% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.32% | 92.62% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.02% | 96.95% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.98% | 94.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.85% | 90.20% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.75% | 95.56% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162902214 |
| LOTUS | LTS0080740 |
| wikiData | Q104997219 |