[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3,4,5-trimethoxyphenoxy)oxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate
| Internal ID | eebcc91d-c039-45d4-bbb0-c391b2fe01f3 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3,4,5-trimethoxyphenoxy)oxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate |
| SMILES (Canonical) | COC1=CC(=CC(=C1OC)OC)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C=C3)O)OC)O)O)O |
| SMILES (Isomeric) | COC1=CC(=CC(=C1OC)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC(=C(C=C3)O)OC)O)O)O |
| InChI | InChI=1S/C23H28O12/c1-29-14-7-11(5-6-13(14)24)22(28)33-10-17-18(25)19(26)20(27)23(35-17)34-12-8-15(30-2)21(32-4)16(9-12)31-3/h5-9,17-20,23-27H,10H2,1-4H3/t17-,18-,19+,20-,23-/m1/s1 |
| InChI Key | KDMAVPMMVXQQGH-DUXQTRJFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H28O12 |
| Molecular Weight | 496.50 g/mol |
| Exact Mass | 496.15807632 g/mol |
| Topological Polar Surface Area (TPSA) | 163.00 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3,4,5-trimethoxyphenoxy)oxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/a40c19a0-8457-11ee-8524-e92cba321434.jpg "2D Structure of [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3,4,5-trimethoxyphenoxy)oxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate")
| 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 | 97.51% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.67% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.41% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.01% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.75% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.47% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.00% | 96.00% |
| CHEMBL3194 | P02766 | Transthyretin | 87.24% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.52% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.97% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.28% | 89.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.06% | 89.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.80% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.63% | 92.62% |
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.
| Betula pubescens |
| Tetracentron sinense |
| PubChem | 11972477 |
| LOTUS | LTS0156714 |
| wikiData | Q105139225 |