[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-[4-(3,4,5-trihydroxybenzoyl)oxyphenyl]ethoxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
| Internal ID | ba2d3a80-3499-4f9b-bbdc-2293caffa418 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-[4-(3,4,5-trihydroxybenzoyl)oxyphenyl]ethoxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H28O15/c29-16-7-13(8-17(30)21(16)33)26(38)41-11-20-23(35)24(36)25(37)28(43-20)40-6-5-12-1-3-15(4-2-12)42-27(39)14-9-18(31)22(34)19(32)10-14/h1-4,7-10,20,23-25,28-37H,5-6,11H2/t20-,23-,24+,25-,28-/m1/s1 |
| InChI Key | VAWONOMQGJBERN-CDQGRTFESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H28O15 |
| Molecular Weight | 604.50 g/mol |
| Exact Mass | 604.14282018 g/mol |
| Topological Polar Surface Area (TPSA) | 253.00 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-[4-(3,4,5-trihydroxybenzoyl)oxyphenyl]ethoxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/f7d27c20-8761-11ee-b136-c388607bb75e.jpg "2D Structure of [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-[4-(3,4,5-trihydroxybenzoyl)oxyphenyl]ethoxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate")
| 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 | 99.02% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.32% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.26% | 96.09% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 93.13% | 94.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.05% | 94.00% |
| CHEMBL3194 | P02766 | Transthyretin | 91.79% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.71% | 86.33% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 91.03% | 85.31% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.16% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.64% | 90.71% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 87.21% | 95.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.76% | 90.00% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 85.74% | 97.53% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.18% | 97.09% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.98% | 86.92% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 84.73% | 83.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.07% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.50% | 98.95% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.49% | 94.62% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.19% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.02% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.91% | 92.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.19% | 95.89% |
| CHEMBL3891 | P07384 | Calpain 1 | 80.51% | 93.04% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.11% | 89.00% |
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.
| Quercus salicina |
| PubChem | 21669998 |
| LOTUS | LTS0135719 |
| wikiData | Q105283033 |