methyl 3-[(1S,2R)-1-acetyloxy-2-methylbutyl]-6-(2-formyl-6-hydroxy-4-methylphenoxy)-2-methoxybenzoate
| Internal ID | dd4eec49-c6e8-4b17-9c4f-dd0721bc2e00 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Diphenylethers |
| IUPAC Name | methyl 3-[(1S,2R)-1-acetyloxy-2-methylbutyl]-6-(2-formyl-6-hydroxy-4-methylphenoxy)-2-methoxybenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H28O8/c1-7-14(3)21(31-15(4)26)17-8-9-19(20(23(17)29-5)24(28)30-6)32-22-16(12-25)10-13(2)11-18(22)27/h8-12,14,21,27H,7H2,1-6H3/t14-,21+/m1/s1 |
| InChI Key | PEUHXOUMRRHXJY-SZNDQCEHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H28O8 |
| Molecular Weight | 444.50 g/mol |
| Exact Mass | 444.17841785 g/mol |
| Topological Polar Surface Area (TPSA) | 108.00 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of methyl 3-[(1S,2R)-1-acetyloxy-2-methylbutyl]-6-(2-formyl-6-hydroxy-4-methylphenoxy)-2-methoxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/33116660-8587-11ee-aba5-8db0158d1439.jpg "2D Structure of methyl 3-[(1S,2R)-1-acetyloxy-2-methylbutyl]-6-(2-formyl-6-hydroxy-4-methylphenoxy)-2-methoxybenzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.43% | 98.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 95.11% | 97.21% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.79% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.00% | 94.73% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 92.20% | 98.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.83% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.00% | 96.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.63% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.43% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.91% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.82% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.37% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.92% | 98.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.51% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.80% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.80% | 91.19% |
| CHEMBL235 | P37231 | Peroxisome proliferator-activated receptor gamma | 81.74% | 95.39% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.63% | 95.50% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.61% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.46% | 90.71% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.36% | 96.90% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.92% | 99.15% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.49% | 89.50% |
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 | 163105499 |
| LOTUS | LTS0056509 |
| wikiData | Q105207362 |