[5-[4,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenoxy)-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxy-3-methoxybenzoate
| Internal ID | 8c88b7b6-08d0-4eef-b01c-f1780e986edb |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [5-[4,5-dihydroxy-2-(4-hydroxy-3-methoxyphenoxy)-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxy-3-methoxybenzoate |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C(=O)OCC2(COC(C2O)OC3C(C(C(OC3OC4=CC(=C(C=C4)O)OC)CO)O)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)C(=O)OCC2(COC(C2O)OC3C(C(C(OC3OC4=CC(=C(C=C4)O)OC)CO)O)O)O)O |
| InChI | InChI=1S/C26H32O15/c1-35-16-7-12(3-5-14(16)28)23(33)37-10-26(34)11-38-25(22(26)32)41-21-20(31)19(30)18(9-27)40-24(21)39-13-4-6-15(29)17(8-13)36-2/h3-8,18-22,24-25,27-32,34H,9-11H2,1-2H3 |
| InChI Key | OZDJIKSIELBUHK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H32O15 |
| Molecular Weight | 584.50 g/mol |
| Exact Mass | 584.17412031 g/mol |
| Topological Polar Surface Area (TPSA) | 223.00 Ų |
| XlogP | -0.50 |
| There are no found synonyms. |
![2D Structure of [5-[4,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenoxy)-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxy-3-methoxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/a4c96ab0-85c1-11ee-8f80-e511692c4022.jpg "2D Structure of [5-[4,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenoxy)-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-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 | 99.46% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.25% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 95.05% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.36% | 94.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.64% | 95.93% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.68% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.62% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.01% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.12% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.82% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.15% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.45% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.44% | 95.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.66% | 91.07% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.11% | 92.62% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.22% | 94.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.11% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.10% | 91.19% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.25% | 90.71% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.51% | 97.36% |
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.
| Markhamia stipulata |
| Myrsine seguinii |
| Santisukia kerrii |
| PubChem | 163074397 |
| LOTUS | LTS0130596 |
| wikiData | Q105203699 |