Dielsiquinone
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL479282 | |
| PubChem: | 10445779 | |
| IUPAC: | 3-methoxy-4-methyl-1H-benzo[g]quinoline-2,5,10-trione | |
| Standard InChI: | InChI=1S/C15H11NO4/c1-7-10-11(16-15(19)14(7)20-2)13(18)9-6-4-3-5-8(9)12(10)17/h3-6H,1-2H3,(H,16,19) | |
| Standard InChI Key: | AZTABGJRYQJTCL-UHFFFAOYSA-N | |
| SMILES: | COc1c(O)nc2c(c1C)C(=O)c1c(C2=O)cccc1 | |
Molecular propeties
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| AlogP: | 1.47 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 269.07 | |
| Topological polar surface area: | 72.5 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.133 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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