Aspergillusether C
| Internal ID | 523ac9d4-7559-427a-b706-2ab18abbf160 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Diphenylethers |
| IUPAC Name | methyl 6-[6-[(E)-but-2-en-2-yl]-2,4-dihydroxy-3-methylphenoxy]-3-chloro-4-hydroxy-2-methylbenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H21ClO6/c1-6-9(2)12-7-13(22)10(3)18(24)19(12)27-15-8-14(23)17(21)11(4)16(15)20(25)26-5/h6-8,22-24H,1-5H3/b9-6+ |
| InChI Key | QUPZSFFZSBHXJU-RMKNXTFCSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C20H21ClO6 |
| Molecular Weight | 392.80 g/mol |
| Exact Mass | 392.1026661 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 5.20 |
| CHEMBL4848494 |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.44% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.71% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 96.31% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 93.52% | 97.21% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.09% | 95.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.47% | 96.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.59% | 94.00% |
| CHEMBL3194 | P02766 | Transthyretin | 88.08% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.50% | 94.45% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 86.53% | 96.90% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.62% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.81% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.38% | 98.95% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 83.27% | 92.29% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 83.10% | 94.42% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.04% | 90.00% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 82.81% | 98.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.32% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.20% | 96.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.95% | 89.34% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.37% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.17% | 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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 139590215 |
| LOTUS | LTS0057058 |
| wikiData | Q105228343 |