(E)-[3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl]-2,4-dihydroxy-6-methyl-3-(3-oxobut-1-en-yl)benzoate
| Internal ID | 8a42085f-1fa0-4f7f-ba0d-1f0b63d5b886 |
| Taxonomy | Phenylpropanoids and polyketides > Depsides and depsidones |
| IUPAC Name | (3-hydroxy-4-methoxycarbonyl-2,5-dimethylphenyl) 2,4-dihydroxy-6-methyl-3-[(E)-3-oxobut-1-enyl]benzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H22O8/c1-10-8-15(24)14(7-6-12(3)23)20(26)18(10)22(28)30-16-9-11(2)17(21(27)29-5)19(25)13(16)4/h6-9,24-26H,1-5H3/b7-6+ |
| InChI Key | MGUYGOJYPVSXEQ-VOTSOKGWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H22O8 |
| Molecular Weight | 414.40 g/mol |
| Exact Mass | 414.13146766 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | 4.40 |
| CHEBI:209291 |
| (3-hydroxy-4-methoxycarbonyl-2,5-dimethyl-phenyl) 2,4-dihydroxy-6-methyl-3-[(E)-3-oxobut-1-enyl]benzoate |
| (3-hydroxy-4-methoxycarbonyl-2,5-dimethylphenyl) 2,4-dihydroxy-6-methyl-3-[(E)-3-oxobut-1-enyl]benzoate |
![2D Structure of (E)-[3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl]-2,4-dihydroxy-6-methyl-3-(3-oxobut-1-en-yl)benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/dadac710-866e-11ee-a3f2-51755dd63e17.jpg "2D Structure of (E)-[3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl]-2,4-dihydroxy-6-methyl-3-(3-oxobut-1-en-yl)benzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 93.18% | 97.21% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.11% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.41% | 96.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.49% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.89% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.27% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.42% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.93% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.50% | 95.56% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.31% | 96.90% |
| CHEMBL3194 | P02766 | Transthyretin | 83.13% | 90.71% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 82.57% | 90.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.13% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.28% | 99.17% |
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 | 129902908 |
| LOTUS | LTS0195564 |
| wikiData | Q77518447 |