(3-Ethyl-7-hydroxy-3,6-dimethyl-1-oxo-2-benzofuran-5-yl) 6-but-2-en-2-yl-2,4-dihydroxy-3-methylbenzoate
| Internal ID | da2cf783-8d34-42cf-a24e-699de6be5c48 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > p-Hydroxybenzoic acid esters |
| IUPAC Name | (3-ethyl-7-hydroxy-3,6-dimethyl-1-oxo-2-benzofuran-5-yl) 6-but-2-en-2-yl-2,4-dihydroxy-3-methylbenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H26O7/c1-7-11(3)14-9-16(25)12(4)20(26)18(14)22(28)30-17-10-15-19(21(27)13(17)5)23(29)31-24(15,6)8-2/h7,9-10,25-27H,8H2,1-6H3 |
| InChI Key | DAFJHRXBVKKWQR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H26O7 |
| Molecular Weight | 426.50 g/mol |
| Exact Mass | 426.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 6.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.51% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.11% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.90% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.63% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.75% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.61% | 96.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.92% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.23% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.13% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.41% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.08% | 86.33% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.61% | 95.17% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 85.77% | 82.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.06% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.24% | 90.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.56% | 97.21% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.36% | 91.71% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.15% | 91.07% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.03% | 98.75% |
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 | 163072556 |
| LOTUS | LTS0221987 |
| wikiData | Q103818222 |