2,3-Bis[(4-hydroxy-3,5-dimethoxyphenyl)-methyl]-1,4-butanediol
| Internal ID | 2be3cf64-3cd0-4683-ba90-b4c50d3414ce |
| Taxonomy | Lignans, neolignans and related compounds > Dibenzylbutane lignans > Dibenzylbutanediol lignans |
| IUPAC Name | 2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]butane-1,4-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H30O8/c1-27-17-7-13(8-18(28-2)21(17)25)5-15(11-23)16(12-24)6-14-9-19(29-3)22(26)20(10-14)30-4/h7-10,15-16,23-26H,5-6,11-12H2,1-4H3 |
| InChI Key | XTRARZPRFYUCGZ-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C22H30O8 |
| Molecular Weight | 422.50 g/mol |
| Exact Mass | 422.19406791 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | 2.50 |
| 2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)-methyl]-1,4-butanediol |
![2D Structure of 2,3-Bis[(4-hydroxy-3,5-dimethoxyphenyl)-methyl]-1,4-butanediol](https://plantaedb.com/storage/docs/compounds/2023/11/55-dimethoxysecoisolariciresinol.jpg "2D Structure of 2,3-Bis[(4-hydroxy-3,5-dimethoxyphenyl)-methyl]-1,4-butanediol")
| 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 | 96.52% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.84% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.79% | 98.95% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 91.79% | 90.20% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.72% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.82% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.69% | 92.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.00% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.91% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.01% | 98.75% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.39% | 89.62% |
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.
| Santalum album |
| PubChem | 14521033 |
| LOTUS | LTS0075942 |
| wikiData | Q105341812 |