4-(6-hydroxy-4-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbutanoic acid
| Internal ID | 73c5ee9f-637f-42b4-a845-d224db4d131a |
| Taxonomy | Organoheterocyclic compounds > Isocoumarans > Isobenzofuranones > Phthalides |
| IUPAC Name | 4-(6-hydroxy-4-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbutanoic acid |
| SMILES (Canonical) | CC1=C2COC(=O)C2=C(C(=C1O)CCC(C)C(=O)O)OC |
| SMILES (Isomeric) | CC1=C2COC(=O)C2=C(C(=C1O)CCC(C)C(=O)O)OC |
| InChI | InChI=1S/C15H18O6/c1-7(14(17)18)4-5-9-12(16)8(2)10-6-21-15(19)11(10)13(9)20-3/h7,16H,4-6H2,1-3H3,(H,17,18) |
| InChI Key | GOPTVZWSXSONRC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H18O6 |
| Molecular Weight | 294.30 g/mol |
| Exact Mass | 294.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 2.00 |
| 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 | 96.71% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.52% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.08% | 94.45% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 94.86% | 95.17% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 93.92% | 98.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.19% | 95.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.61% | 97.21% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.98% | 93.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.84% | 96.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.19% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.05% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.59% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.74% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.65% | 85.14% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.65% | 95.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.44% | 96.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.51% | 96.47% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.01% | 99.23% |
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 | 75115095 |
| LOTUS | LTS0065407 |
| wikiData | Q105014383 |