[(2S,3S,4R,5R,6S)-2-[3,4-dihydroxy-5-(2,3,4-trihydroxyphenoxy)benzoyl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxybenzoyl)oxyoxan-4-yl] 3,4,5-trihydroxybenzoate
| Internal ID | eea278a7-ca5b-412d-be40-50ac1ff138d6 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [(2S,3S,4R,5R,6S)-2-[3,4-dihydroxy-5-(2,3,4-trihydroxyphenoxy)benzoyl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxybenzoyl)oxyoxan-4-yl] 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H28O21/c34-9-21-27(46)28(52-30(47)10-3-14(36)22(41)15(37)4-10)29(53-31(48)11-5-16(38)23(42)17(39)6-11)33(51-21)54-32(49)12-7-18(40)24(43)20(8-12)50-19-2-1-13(35)25(44)26(19)45/h1-8,21,27-29,33-46H,9H2/t21-,27+,28+,29-,33-/m0/s1 |
| InChI Key | RHKFRJASWOWCCU-NMMAXZHGSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C33H28O21 |
| Molecular Weight | 760.60 g/mol |
| Exact Mass | 760.11230790 g/mol |
| Topological Polar Surface Area (TPSA) | 360.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of [(2S,3S,4R,5R,6S)-2-[3,4-dihydroxy-5-(2,3,4-trihydroxyphenoxy)benzoyl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxybenzoyl)oxyoxan-4-yl] 3,4,5-trihydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/a8d46780-8457-11ee-9f43-abeab4e0fbed.jpg "2D Structure of [(2S,3S,4R,5R,6S)-2-[3,4-dihydroxy-5-(2,3,4-trihydroxyphenoxy)benzoyl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxybenzoyl)oxyoxan-4-yl] 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 | 98.31% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 96.37% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.58% | 91.49% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.43% | 99.17% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 91.49% | 83.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.27% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.14% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.46% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.40% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.30% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.01% | 94.73% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.42% | 86.92% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.75% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.69% | 98.95% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 83.43% | 97.53% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.53% | 96.21% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.40% | 95.78% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.40% | 95.89% |
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.
| There are no matching plants. |
| PubChem | 162906155 |
| LOTUS | LTS0215550 |
| wikiData | Q105236444 |