Omega-Hydroxyemodin
Representations & DB's id
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| ChEBI: | CHEBI:81348 | |
|---|---|---|
| ChEMBL: | CHEMBL290932 | |
| PubChem: | 361512 | |
| IUPAC: | 1,3,8-trihydroxy-6-(hydroxymethyl)anthracene-9,10-dione | |
| Standard InChI: | InChI=1S/C15H10O6/c16-5-6-1-8-12(10(18)2-6)15(21)13-9(14(8)20)3-7(17)4-11(13)19/h1-4,16-19H,5H2 | |
| Standard InChI Key: | YQHZABGPIPECSQ-UHFFFAOYSA-N | |
| SMILES: | OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O | |
Molecular propeties
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| AlogP: | 1.07 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 286.05 | |
| Topological polar surface area: | 115 | |
| 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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