Alloathyriol
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL482243 | |
| PubChem: | 44575387 | |
| IUPAC: | 1,3,6-trihydroxy-7-methoxyxanthen-9-one | |
| Standard InChI: | InChI=1S/C14H10O6/c1-19-11-4-7-10(5-8(11)16)20-12-3-6(15)2-9(17)13(12)14(7)18/h2-5,15-17H,1H3 | |
| Standard InChI Key: | CLZONBOPXUGYNY-UHFFFAOYSA-N | |
| SMILES: | COc1cc2c(cc1O)oc1c(c2=O)c(O)cc(c1)O | |
Molecular propeties
| ||
| AlogP: | 2.07 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 274.05 | |
| Topological polar surface area: | 96.2 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.071 | |
| Number of carbons: | 14 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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