4-Allyl-2,6-dimethoxyphenyl isovalerate
| Internal ID | c88bd29c-81a5-4283-86a7-381861721442 |
| Taxonomy | Benzenoids > Phenol esters |
| IUPAC Name | (2,6-dimethoxy-4-prop-2-enylphenyl) 3-methylbutanoate |
| SMILES (Canonical) | CC(C)CC(=O)OC1=C(C=C(C=C1OC)CC=C)OC |
| SMILES (Isomeric) | CC(C)CC(=O)OC1=C(C=C(C=C1OC)CC=C)OC |
| InChI | InChI=1S/C16H22O4/c1-6-7-12-9-13(18-4)16(14(10-12)19-5)20-15(17)8-11(2)3/h6,9-11H,1,7-8H2,2-5H3 |
| InChI Key | JWXZLHSKHNEXMZ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H22O4 |
| Molecular Weight | 278.34 g/mol |
| Exact Mass | 278.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 4.00 |
| JWXZLHSKHNEXMZ-UHFFFAOYSA-N |
| 4-Allyl-2,6-dimethoxyphenyl isovalerate |
| 4-allyl-2,6-dimethoxyphenyl 3-methylbutanoate |
| Butanoic acid, 3-methyl-, 2,6-dimethoxy-4-(2-propen-1-yl)phenyl ester |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.87% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.10% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.39% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.13% | 98.95% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 90.06% | 90.20% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.71% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.69% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.75% | 95.89% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.55% | 95.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.50% | 91.07% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.37% | 95.56% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.85% | 89.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.36% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.54% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.30% | 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.
To see more specific details click the taxa you are interested in.
| Aster indicus |
| PubChem | 23727651 |
| LOTUS | LTS0044666 |
| wikiData | Q105136448 |