1-(3,4-Dimethoxyphenyl)-2-[4-(3-hydroxyprop-1-enyl)-2-methoxyphenoxy]propane-1,3-diol
| Internal ID | 14a01c28-13ea-4fa5-a8bd-fb38238c3796 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 1-(3,4-dimethoxyphenyl)-2-[4-(3-hydroxyprop-1-enyl)-2-methoxyphenoxy]propane-1,3-diol |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C(C(CO)OC2=C(C=C(C=C2)C=CCO)OC)O)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)C(C(CO)OC2=C(C=C(C=C2)C=CCO)OC)O)OC |
| InChI | InChI=1S/C21H26O7/c1-25-16-9-7-15(12-19(16)27-3)21(24)20(13-23)28-17-8-6-14(5-4-10-22)11-18(17)26-2/h4-9,11-12,20-24H,10,13H2,1-3H3 |
| InChI Key | GAYRERFQJBZHBH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H26O7 |
| Molecular Weight | 390.40 g/mol |
| Exact Mass | 390.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 97.60 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 1-(3,4-Dimethoxyphenyl)-2-[4-(3-hydroxyprop-1-enyl)-2-methoxyphenoxy]propane-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/1-34-dimethoxyphenyl-2-4-3-hydroxyprop-1-enyl-2-methoxyphenoxypropane-13-diol.jpg "2D Structure of 1-(3,4-Dimethoxyphenyl)-2-[4-(3-hydroxyprop-1-enyl)-2-methoxyphenoxy]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 | 98.21% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 97.24% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.29% | 86.33% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 93.73% | 89.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.89% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.43% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.95% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.21% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 86.69% | 90.20% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.93% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.65% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.60% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.74% | 91.11% |
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.
| Magnolia biondii |
| PubChem | 76551204 |
| LOTUS | LTS0263774 |
| wikiData | Q105005719 |