3-[4-[3,4-Dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy-3-hydroxyphenyl]-2-methylprop-2-enoic acid
| Internal ID | c24a3001-619f-48d8-acb9-3e3d06e2b5f9 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 3-[4-[3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy-3-hydroxyphenyl]-2-methylprop-2-enoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H20O8/c1-7(15(21)22)5-9-3-4-11(10(18)6-9)23-16-13(20)12(19)14(24-16)8(2)17/h3-6,8,12-14,16-20H,1-2H3,(H,21,22) |
| InChI Key | KODWUJKPORHWMA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H20O8 |
| Molecular Weight | 340.32 g/mol |
| Exact Mass | 340.11581759 g/mol |
| Topological Polar Surface Area (TPSA) | 137.00 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of 3-[4-[3,4-Dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy-3-hydroxyphenyl]-2-methylprop-2-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3-4-34-dihydroxy-5-1-hydroxyethyloxolan-2-yloxy-3-hydroxyphenyl-2-methylprop-2-enoic-acid.jpg "2D Structure of 3-[4-[3,4-Dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy-3-hydroxyphenyl]-2-methylprop-2-enoic acid")
| 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 | 98.16% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.59% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.71% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.74% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.31% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.92% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.25% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.35% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.20% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.72% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.49% | 99.15% |
| CHEMBL3194 | P02766 | Transthyretin | 86.29% | 90.71% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 84.58% | 83.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.51% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.43% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.15% | 90.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162844163 |
| LOTUS | LTS0129659 |
| wikiData | Q104170456 |