1,3,6-Trihydroxy-2-Methylanthraquinone
Representations & DB's id
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| ChEBI: | CHEBI:69519 | |
|---|---|---|
| ChEMBL: | CHEMBL251491 | |
| PubChem: | 5319801 | |
| IUPAC: | 1,3,6-trihydroxy-2-methylanthracene-9,10-dione | |
| Standard InChI: | InChI=1S/C15H10O5/c1-6-11(17)5-10-12(13(6)18)15(20)8-3-2-7(16)4-9(8)14(10)19/h2-5,16-18H,1H3 | |
| Standard InChI Key: | JKJVBHYKKRDSPP-UHFFFAOYSA-N | |
| SMILES: | Oc1ccc2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)O)C | |
Molecular propeties
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| AlogP: | 1.89 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 3 | |
| Molecular Weight: | 270.05 | |
| Topological polar surface area: | 94.8 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.067 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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