[(2S,3R,4S)-2-(3,4-dimethoxyphenyl)-4-hydroxyoxolan-3-yl]methyl 3,4-dimethoxybenzoate
| Internal ID | d8ac03f4-a851-4c49-9e62-5ec9853ca3a3 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Methoxybenzoic acids and derivatives > P-methoxybenzoic acids and derivatives |
| IUPAC Name | [(2S,3R,4S)-2-(3,4-dimethoxyphenyl)-4-hydroxyoxolan-3-yl]methyl 3,4-dimethoxybenzoate |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C2C(C(CO2)O)COC(=O)C3=CC(=C(C=C3)OC)OC)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)[C@@H]2[C@@H]([C@@H](CO2)O)COC(=O)C3=CC(=C(C=C3)OC)OC)OC |
| InChI | InChI=1S/C22H26O8/c1-25-17-7-5-13(9-19(17)27-3)21-15(16(23)12-29-21)11-30-22(24)14-6-8-18(26-2)20(10-14)28-4/h5-10,15-16,21,23H,11-12H2,1-4H3/t15-,16-,21-/m1/s1 |
| InChI Key | NOFBZKYDNAOAQJ-WHSLLNHNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H26O8 |
| Molecular Weight | 418.40 g/mol |
| Exact Mass | 418.16276778 g/mol |
| Topological Polar Surface Area (TPSA) | 92.70 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of [(2S,3R,4S)-2-(3,4-dimethoxyphenyl)-4-hydroxyoxolan-3-yl]methyl 3,4-dimethoxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/2s3r4s-2-34-dimethoxyphenyl-4-hydroxyoxolan-3-ylmethyl-34-dimethoxybenzoate.jpg "2D Structure of [(2S,3R,4S)-2-(3,4-dimethoxyphenyl)-4-hydroxyoxolan-3-yl]methyl 3,4-dimethoxybenzoate")
| 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% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.75% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.74% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.49% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.97% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.80% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.73% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.68% | 98.75% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.20% | 92.94% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.83% | 91.19% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.75% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.27% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.35% | 96.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.34% | 93.99% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.08% | 97.21% |
| CHEMBL5028 | O14672 | ADAM10 | 82.32% | 97.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.09% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.57% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.44% | 97.14% |
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 stellata |
| PubChem | 102021580 |
| LOTUS | LTS0086034 |
| wikiData | Q105182539 |