2-[3-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | 7bb3a35b-0ebc-4a04-888f-4e5dfd37a843 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | 2-[3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C(CO)COC2C(C(C(C(O2)CO)O)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)C(CO)COC2C(C(C(C(O2)CO)O)O)O)O |
| InChI | InChI=1S/C16H24O9/c1-23-11-4-8(2-3-10(11)19)9(5-17)7-24-16-15(22)14(21)13(20)12(6-18)25-16/h2-4,9,12-22H,5-7H2,1H3 |
| InChI Key | REHZVRNVHQFBAF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H24O9 |
| Molecular Weight | 360.36 g/mol |
| Exact Mass | 360.14203234 g/mol |
| Topological Polar Surface Area (TPSA) | 149.00 Ų |
| XlogP | -1.40 |
| There are no found synonyms. |
![2D Structure of 2-[3-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2-3-hydroxy-2-4-hydroxy-3-methoxyphenylpropoxy-6-hydroxymethyloxane-345-triol.jpg "2D Structure of 2-[3-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol")
| 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 | 98.93% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.76% | 96.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 91.14% | 89.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.49% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.34% | 96.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.82% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.33% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.17% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.74% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.60% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.54% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.15% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.64% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.52% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.10% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.22% | 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.
| Glehnia littoralis |
| Juniperus communis |
| Juniperus phoenicea |
| Peucedanum japonicum |
| PubChem | 75130902 |
| LOTUS | LTS0263671 |
| wikiData | Q105234874 |