1-Hydroxyanthraquinone
Representations & DB's id
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| ChEBI: | CHEBI:28877 | |
|---|---|---|
| ChEMBL: | CHEMBL501834 | |
| PubChem: | 8512 | |
| IUPAC: | 1-hydroxyanthracene-9,10-dione | |
| Standard InChI: | InChI=1S/C14H8O3/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7,15H | |
| Standard InChI Key: | BTLXPCBPYBNQNR-UHFFFAOYSA-N | |
| SMILES: | Oc1cccc2c1C(=O)c1ccccc1C2=O | |
Molecular propeties
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| AlogP: | 2.17 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 3 | |
| Molecular Weight: | 224.05 | |
| Topological polar surface area: | 54.4 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0 | |
| Number of carbons: | 14 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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