4-(2,4-Dihydroxy-3,6-dimethylbenzoyl)oxy-2-methoxy-3,6-dimethylbenzoic acid
| Internal ID | 9f133730-5ff7-4946-9f75-f202274f1e9c |
| Taxonomy | Phenylpropanoids and polyketides > Depsides and depsidones |
| IUPAC Name | 4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-methoxy-3,6-dimethylbenzoic acid |
| SMILES (Canonical) | CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2)C)C(=O)O)OC)C)O)C)O |
| SMILES (Isomeric) | CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2)C)C(=O)O)OC)C)O)C)O |
| InChI | InChI=1S/C19H20O7/c1-8-6-12(20)10(3)16(21)14(8)19(24)26-13-7-9(2)15(18(22)23)17(25-5)11(13)4/h6-7,20-21H,1-5H3,(H,22,23) |
| InChI Key | OPZDIZVGVPQSIW-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H20O7 |
| Molecular Weight | 360.40 g/mol |
| Exact Mass | 360.12090297 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3194 | P02766 | Transthyretin | 91.47% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.60% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.95% | 91.11% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.86% | 95.50% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.03% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.77% | 96.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.68% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.47% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.19% | 99.17% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 84.09% | 94.42% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.81% | 98.95% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 83.79% | 96.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.40% | 97.21% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.39% | 96.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.96% | 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.
| There are no matching plants. |
| PubChem | 14805237 |
| LOTUS | LTS0052537 |
| wikiData | Q105196654 |