5-Hydroxy-7-methoxy-4-(methoxymethyl)-6-methyl-1(3H)-isobenzofuranone
| Internal ID | 8251d35a-e520-441f-b2e5-bf2b3eeae558 |
| Taxonomy | Organoheterocyclic compounds > Isocoumarans > Isobenzofuranones > Phthalides |
| IUPAC Name | 5-hydroxy-7-methoxy-4-(methoxymethyl)-6-methyl-3H-2-benzofuran-1-one |
| SMILES (Canonical) | CC1=C(C(=C2COC(=O)C2=C1OC)COC)O |
| SMILES (Isomeric) | CC1=C(C(=C2COC(=O)C2=C1OC)COC)O |
| InChI | InChI=1S/C12H14O5/c1-6-10(13)8(4-15-2)7-5-17-12(14)9(7)11(6)16-3/h13H,4-5H2,1-3H3 |
| InChI Key | FTEUTICEQLCESE-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C12H14O5 |
| Molecular Weight | 238.24 g/mol |
| Exact Mass | 238.08412354 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 1.00 |
| 5-Hydroxy-7-methoxy-4-(methoxymethyl)-6-methyl-1(3H)-isobenzofuranone |
| 5-Hydroxy-7-methoxy-4-(methoxymethyl)-6-methyl-2-benzofuran-1(3H)-one # |
| 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 | 95.53% | 91.11% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 91.97% | 98.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.91% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.45% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.43% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.92% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.87% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.39% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.29% | 96.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.25% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.03% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.99% | 90.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 600713 |
| LOTUS | LTS0199439 |
| wikiData | Q105001017 |