Methyl 5-(2-formyl-3-hydroxy-5-methylphenoxy)-2,4-dihydroxy-3,6-dimethylbenzoate
| Internal ID | 6fe41e00-9c0a-4c81-b545-2e3bc6baced4 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Diphenylethers |
| IUPAC Name | methyl 5-(2-formyl-3-hydroxy-5-methylphenoxy)-2,4-dihydroxy-3,6-dimethylbenzoate |
| SMILES (Canonical) | CC1=CC(=C(C(=C1)OC2=C(C(=C(C(=C2C)C(=O)OC)O)C)O)C=O)O |
| SMILES (Isomeric) | CC1=CC(=C(C(=C1)OC2=C(C(=C(C(=C2C)C(=O)OC)O)C)O)C=O)O |
| InChI | InChI=1S/C18H18O7/c1-8-5-12(20)11(7-19)13(6-8)25-17-9(2)14(18(23)24-4)15(21)10(3)16(17)22/h5-7,20-22H,1-4H3 |
| InChI Key | OAMRGESDIWIMID-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H18O7 |
| Molecular Weight | 346.30 g/mol |
| Exact Mass | 346.10525291 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 3.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 99.15% | 98.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.31% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.56% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.15% | 94.73% |
| CHEMBL3194 | P02766 | Transthyretin | 85.79% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.93% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.90% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.88% | 99.15% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.67% | 91.19% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.58% | 96.95% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.95% | 96.90% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.72% | 99.17% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.25% | 91.07% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.07% | 91.49% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.96% | 94.42% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.69% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.35% | 94.00% |
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.
| Adenocarpus foliolosus |
| PubChem | 102412536 |
| LOTUS | LTS0090529 |
| wikiData | Q105188741 |