| BioID | bio198294 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL2337630 |
|---|
| Molecular Formula | C14H16O6 |
|---|
| Molecular Weight | 280.28 |
|---|
| Molecular Weight (Monoisotopic) | 280.0947 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | Diethyl 2-(3,4-Dihydroxybenzylidene)Malonate |
|---|
| Smiles | CCOC(=O)C(=Cc1ccc(O)c(O)c1)C(=O)OCC |
|---|
| Inchi | InChI=1S/C14H16O6/c1-3-19-13(17)10(14(18)20-4-2)7-9-5-6-11(15)12(16)8-9/h5-8,15-16H,3-4H2,1-2H3 |
|---|
| Inchi Key | NEXSJTWYAOTCRZ-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 5.0 |
|---|
| Np Likeness Score | 0.33 |
|---|
| Records Key | ['5', '13'] |
|---|
| Records Name | ['diethyl 2-(3,4-dihydroxybenzylidene)malonate', 'Diethyl 2-(3,4-dihydroxybenzylidene)malonate'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
