Questin
Representations & DB's id
| ||
| ChEBI: | CHEBI:16200 | |
|---|---|---|
| ChEMBL: | CHEMBL453315 | |
| PubChem: | 160717 | |
| IUPAC: | 1,6-dihydroxy-8-methoxy-3-methylanthracene-9,10-dione | |
| Standard InChI: | InChI=1S/C16H12O5/c1-7-3-9-13(11(18)4-7)16(20)14-10(15(9)19)5-8(17)6-12(14)21-2/h3-6,17-18H,1-2H3 | |
| Standard InChI Key: | UUNPIWCQMVNINR-UHFFFAOYSA-N | |
| SMILES: | COc1cc(O)cc2c1C(=O)c1c(C2=O)cc(cc1O)C | |
Molecular propeties
| ||
| AlogP: | 2.19 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 284.07 | |
| Topological polar surface area: | 83.8 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.125 | |
| Number of carbons: | 16 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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