5-[3-[(3,4-Dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-3-methoxybenzene-1,2-diol
| Internal ID | bb9803aa-2f50-4be6-aa3f-576a66408a16 |
| Taxonomy | Lignans, neolignans and related compounds > Dibenzylbutane lignans |
| IUPAC Name | 5-[3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-3-methoxybenzene-1,2-diol |
| SMILES (Canonical) | COCC(CC1=CC(=C(C=C1)OC)OC)C(CC2=CC(=C(C(=C2)OC)O)O)COC |
| SMILES (Isomeric) | COCC(CC1=CC(=C(C=C1)OC)OC)C(CC2=CC(=C(C(=C2)OC)O)O)COC |
| InChI | InChI=1S/C23H32O7/c1-26-13-17(8-15-6-7-20(28-3)21(11-15)29-4)18(14-27-2)9-16-10-19(24)23(25)22(12-16)30-5/h6-7,10-12,17-18,24-25H,8-9,13-14H2,1-5H3 |
| InChI Key | RSRAOKVDJGLBST-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H32O7 |
| Molecular Weight | 420.50 g/mol |
| Exact Mass | 420.21480336 g/mol |
| Topological Polar Surface Area (TPSA) | 86.60 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of 5-[3-[(3,4-Dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-3-methoxybenzene-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/5-3-34-dimethoxyphenylmethyl-4-methoxy-2-methoxymethylbutyl-3-methoxybenzene-12-diol.jpg "2D Structure of 5-[3-[(3,4-Dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-3-methoxybenzene-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.23% | 96.09% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 97.05% | 90.20% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.01% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.92% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.57% | 98.95% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 89.40% | 92.68% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.57% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.42% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.64% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.36% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.36% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.23% | 90.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.31% | 89.62% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 84.11% | 90.24% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.99% | 92.62% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.40% | 96.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.92% | 96.00% |
| CHEMBL3194 | P02766 | Transthyretin | 81.15% | 90.71% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.32% | 92.94% |
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.
| Phyllanthus niruri |
| PubChem | 162875643 |
| LOTUS | LTS0072576 |
| wikiData | Q105244841 |