[5-[[6-(3,4-Dimethoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4-dihydroxyoxolan-3-yl]methyl 3,4-dimethoxybenzoate
| Internal ID | 969e7e1d-740e-45c6-a2e2-618c94c31a74 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [5-[[6-(3,4-dimethoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4-dihydroxyoxolan-3-yl]methyl 3,4-dimethoxybenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H36O15/c1-35-16-7-5-14(9-18(16)37-3)25(33)40-12-28(34)13-41-27(24(28)32)39-11-20-21(29)22(30)23(31)26(43-20)42-15-6-8-17(36-2)19(10-15)38-4/h5-10,20-24,26-27,29-32,34H,11-13H2,1-4H3 |
| InChI Key | GOEIYALPGAXEEK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H36O15 |
| Molecular Weight | 612.60 g/mol |
| Exact Mass | 612.20542044 g/mol |
| Topological Polar Surface Area (TPSA) | 201.00 Ų |
| XlogP | -0.40 |
| There are no found synonyms. |
![2D Structure of [5-[[6-(3,4-Dimethoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4-dihydroxyoxolan-3-yl]methyl 3,4-dimethoxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/9c7cf950-85f2-11ee-8a52-559f5ceefd3e.jpg "2D Structure of [5-[[6-(3,4-Dimethoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4-dihydroxyoxolan-3-yl]methyl 3,4-dimethoxybenzoate")
| 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 | 96.42% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.33% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 94.36% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.05% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.53% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.47% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.33% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.55% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.30% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.28% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.42% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.94% | 89.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.32% | 91.07% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.74% | 89.62% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.58% | 92.62% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.33% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.95% | 96.95% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 81.55% | 97.53% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.95% | 97.36% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 73803928 |
| LOTUS | LTS0240728 |
| wikiData | Q105013773 |