2-[4-(2,3-Dihydroxypropyl)-2,6-dimethoxyphenoxy]-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,3-diol
| Internal ID | fc1c0f63-2d63-4e3c-91d5-0013d5ce9dd3 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 2-[4-(2,3-dihydroxypropyl)-2,6-dimethoxyphenoxy]-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,3-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H30O10/c1-28-15-8-13(9-16(29-2)21(15)27)20(26)19(11-24)32-22-17(30-3)6-12(5-14(25)10-23)7-18(22)31-4/h6-9,14,19-20,23-27H,5,10-11H2,1-4H3 |
| InChI Key | UEGBGIQRGZCXQD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H30O10 |
| Molecular Weight | 454.50 g/mol |
| Exact Mass | 454.18389715 g/mol |
| Topological Polar Surface Area (TPSA) | 147.00 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
![2D Structure of 2-[4-(2,3-Dihydroxypropyl)-2,6-dimethoxyphenoxy]-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/2-4-23-dihydroxypropyl-26-dimethoxyphenoxy-1-4-hydroxy-35-dimethoxyphenylpropane-13-diol.jpg "2D Structure of 2-[4-(2,3-Dihydroxypropyl)-2,6-dimethoxyphenoxy]-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,3-diol")
| 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 | 98.09% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.85% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.03% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.25% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 92.87% | 90.20% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 92.26% | 92.68% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.50% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.22% | 94.45% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.80% | 89.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.37% | 99.15% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.28% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.65% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.61% | 90.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.09% | 92.62% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 81.46% | 97.88% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.39% | 96.00% |
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.
| Casearia sylvestris |
| PubChem | 162958181 |
| LOTUS | LTS0130033 |
| wikiData | Q105270883 |