Methyl 2-hydroxy-4-[(2-hydroxy-4-methoxy-3,6-dimethylbenzoyl)oxy]-3,6-dimethylbenzoate
| Internal ID | e95bf7a4-2c93-49b4-ae45-04ca16b91d45 |
| Taxonomy | Phenylpropanoids and polyketides > Depsides and depsidones |
| IUPAC Name | (3-hydroxy-4-methoxycarbonyl-2,5-dimethylphenyl) 2-hydroxy-4-methoxy-3,6-dimethylbenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H22O7/c1-9-7-13(25-5)11(3)17(21)16(9)20(24)27-14-8-10(2)15(19(23)26-6)18(22)12(14)4/h7-8,21-22H,1-6H3 |
| InChI Key | YBBZWHIIYJKMKV-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H22O7 |
| Molecular Weight | 374.40 g/mol |
| Exact Mass | 374.13655304 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 5.00 |
| DTXSID60564234 |
| Methyl 2-hydroxy-4-[(2-hydroxy-4-methoxy-3,6-dimethylbenzoyl)oxy]-3,6-dimethylbenzoate |
| 4-(2-Hydroxy-4-methoxy-3,6-dimethylbenzoyloxy)-2-hydroxy-3,6-dimethylbenzoic acid methyl ester |
![2D Structure of Methyl 2-hydroxy-4-[(2-hydroxy-4-methoxy-3,6-dimethylbenzoyl)oxy]-3,6-dimethylbenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-2-hydroxy-4-2-hydroxy-4-methoxy-36-dimethylbenzoyloxy-36-dimethylbenzoate.jpg "2D Structure of Methyl 2-hydroxy-4-[(2-hydroxy-4-methoxy-3,6-dimethylbenzoyl)oxy]-3,6-dimethylbenzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.30% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.11% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.21% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.08% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.83% | 99.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.30% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.23% | 96.95% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.19% | 90.20% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.15% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.05% | 98.95% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.97% | 94.42% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.93% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.20% | 86.33% |
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.
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| There are no matching plants. |
| PubChem | 14805236 |
| LOTUS | LTS0172647 |
| wikiData | Q82448862 |