(1R,2S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propane-1,3-diol
| Internal ID | f8de5ef4-96fb-4af1-8ea0-449d218cfefd |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | (1R,2S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propane-1,3-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H30O9/c1-27-15-10-14(11-16(28-2)21(15)26)20(25)19(12-24)31-22-17(29-3)8-13(6-5-7-23)9-18(22)30-4/h8-11,19-20,23-26H,5-7,12H2,1-4H3/t19-,20+/m0/s1 |
| InChI Key | MFTGHHCPUVBWFW-VQTJNVASSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H30O9 |
| Molecular Weight | 438.50 g/mol |
| Exact Mass | 438.18898253 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of (1R,2S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propane-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/f6f6c930-8604-11ee-bbb4-736ff0ff1c83.jpg "2D Structure of (1R,2S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]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 | 98.73% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.97% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.95% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.45% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.33% | 91.11% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 89.50% | 90.20% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.48% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.59% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.40% | 94.45% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 83.70% | 92.68% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.59% | 86.92% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.19% | 96.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 82.92% | 87.45% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.87% | 89.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.55% | 98.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.72% | 99.15% |
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.
| Epimedium sagittatum |
| PubChem | 15690601 |
| LOTUS | LTS0101207 |
| wikiData | Q105162987 |