[(1R,2S,3R)-1-(3,4-dimethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl] acetate
| Internal ID | 8be72e27-ba9f-42d4-b9b4-26459383bafb |
| Taxonomy | Lignans, neolignans and related compounds > Dibenzylbutane lignans |
| IUPAC Name | [(1R,2S,3R)-1-(3,4-dimethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl] acetate |
| SMILES (Canonical) | CC(CC1=CC(=C(C=C1)O)OC)C(C)C(C2=CC(=C(C=C2)OC)OC)OC(=O)C |
| SMILES (Isomeric) | C[C@H](CC1=CC(=C(C=C1)O)OC)[C@H](C)[C@H](C2=CC(=C(C=C2)OC)OC)OC(=O)C |
| InChI | InChI=1S/C23H30O6/c1-14(11-17-7-9-19(25)21(12-17)27-5)15(2)23(29-16(3)24)18-8-10-20(26-4)22(13-18)28-6/h7-10,12-15,23,25H,11H2,1-6H3/t14-,15+,23-/m1/s1 |
| InChI Key | VUUHIXIUHGVFKO-HUYGQZFBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H30O6 |
| Molecular Weight | 402.50 g/mol |
| Exact Mass | 402.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 74.20 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of [(1R,2S,3R)-1-(3,4-dimethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/1r2s3r-1-34-dimethoxyphenyl-4-4-hydroxy-3-methoxyphenyl-23-dimethylbutyl-acetate.jpg "2D Structure of [(1R,2S,3R)-1-(3,4-dimethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl] acetate")
| 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 | 98.25% | 96.09% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 96.74% | 90.20% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.27% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.13% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.06% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.42% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.09% | 98.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.27% | 85.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.72% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.66% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.21% | 90.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.84% | 95.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.26% | 96.00% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 81.97% | 92.68% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.15% | 95.89% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.93% | 89.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.84% | 94.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.79% | 91.19% |
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 ovata |
| PubChem | 162856053 |
| LOTUS | LTS0210496 |
| wikiData | Q105297432 |