[5-[4,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenoxy)-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate
| Internal ID | 964d7d6a-490f-441d-8a74-ec4e6dbcf10c |
| 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-3,5-dimethoxybenzoate |
| SMILES (Canonical) | COC1=CC(=CC(=C1O)OC)C(=O)OCC2(COC(C2O)OC3C(C(C(OC3OC4=CC(=C(C=C4)O)OC)CO)O)O)O |
| SMILES (Isomeric) | COC1=CC(=CC(=C1O)OC)C(=O)OCC2(COC(C2O)OC3C(C(C(OC3OC4=CC(=C(C=C4)O)OC)CO)O)O)O |
| InChI | InChI=1S/C27H34O16/c1-36-15-8-13(4-5-14(15)29)41-25-22(21(32)20(31)18(9-28)42-25)43-26-23(33)27(35,11-40-26)10-39-24(34)12-6-16(37-2)19(30)17(7-12)38-3/h4-8,18,20-23,25-26,28-33,35H,9-11H2,1-3H3 |
| InChI Key | PRSVTGBFRBXMAU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H34O16 |
| Molecular Weight | 614.50 g/mol |
| Exact Mass | 614.18468499 g/mol |
| Topological Polar Surface Area (TPSA) | 233.00 Ų |
| XlogP | -0.60 |
| 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-3,5-dimethoxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/80c55140-8713-11ee-97a7-513328157b8e.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-3,5-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.67% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.24% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.25% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.28% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.97% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.02% | 99.17% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.91% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.39% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.32% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.58% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.40% | 92.94% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.04% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.67% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.76% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.42% | 92.62% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.83% | 91.07% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 83.69% | 97.53% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.35% | 94.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.89% | 90.71% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.95% | 97.36% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.32% | 99.15% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.05% | 91.19% |
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.
| Albizia julibrissin |
| PubChem | 72832058 |
| LOTUS | LTS0133071 |
| wikiData | Q105213897 |