1,8-Dimethoxy-3-Methyl-Anthraquinone
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL289530 | |
| PubChem: | 189763 | |
| IUPAC: | 1,8-dimethoxy-3-methylanthracene-9,10-dione | |
| Standard InChI: | InChI=1S/C17H14O4/c1-9-7-11-15(13(8-9)21-3)17(19)14-10(16(11)18)5-4-6-12(14)20-2/h4-8H,1-3H3 | |
| Standard InChI Key: | LODCICIWBUFMMY-UHFFFAOYSA-N | |
| SMILES: | COc1cc(C)cc2c1C(=O)c1c(C2=O)cccc1OC | |
Molecular propeties
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| AlogP: | 2.79 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 282.09 | |
| Topological polar surface area: | 52.6 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.176 | |
| Number of carbons: | 17 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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