Digiferruginol
Representations & DB's id
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| ChEBI: | CHEBI:4544 | |
|---|---|---|
| ChEMBL: | CHEMBL495276 | |
| PubChem: | 32209 | |
| IUPAC: | 1-hydroxy-2-(hydroxymethyl)anthracene-9,10-dione | |
| Standard InChI: | InChI=1S/C15H10O4/c16-7-8-5-6-11-12(13(8)17)15(19)10-4-2-1-3-9(10)14(11)18/h1-6,16-17H,7H2 | |
| Standard InChI Key: | JCZCSQSSSAHDCB-UHFFFAOYSA-N | |
| SMILES: | OCc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1 | |
Molecular propeties
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| AlogP: | 1.66 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 254.06 | |
| Topological polar surface area: | 74.6 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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