4-[3-[(3,4-Dimethoxyphenyl)methyl]-4-hydroxy-2-(hydroxymethyl)butyl]benzene-1,2-diol
| Internal ID | 04bb2d45-40e6-4271-8bb5-c476a00a8b84 |
| Taxonomy | Lignans, neolignans and related compounds > Dibenzylbutane lignans > Dibenzylbutanediol lignans |
| IUPAC Name | 4-[3-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-2-(hydroxymethyl)butyl]benzene-1,2-diol |
| SMILES (Canonical) | COC1=C(C=C(C=C1)CC(CO)C(CC2=CC(=C(C=C2)O)O)CO)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)CC(CO)C(CC2=CC(=C(C=C2)O)O)CO)OC |
| InChI | InChI=1S/C20H26O6/c1-25-19-6-4-14(10-20(19)26-2)8-16(12-22)15(11-21)7-13-3-5-17(23)18(24)9-13/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3 |
| InChI Key | NZAGHHLWDBEECH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H26O6 |
| Molecular Weight | 362.40 g/mol |
| Exact Mass | 362.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 99.40 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of 4-[3-[(3,4-Dimethoxyphenyl)methyl]-4-hydroxy-2-(hydroxymethyl)butyl]benzene-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/4-3-34-dimethoxyphenylmethyl-4-hydroxy-2-hydroxymethylbutylbenzene-12-diol.jpg "2D Structure of 4-[3-[(3,4-Dimethoxyphenyl)methyl]-4-hydroxy-2-(hydroxymethyl)butyl]benzene-1,2-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 |
|---|---|---|---|---|
| CHEMBL1255126 | O15151 | Protein Mdm4 | 96.64% | 90.20% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.27% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.17% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.77% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.43% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.08% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.14% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.14% | 86.33% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 85.77% | 90.24% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.95% | 95.89% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 83.19% | 92.68% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.60% | 96.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.20% | 95.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.68% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.15% | 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.
| Taxus baccata |
| PubChem | 78186664 |
| LOTUS | LTS0126933 |
| wikiData | Q105187803 |