1,7-Dihydroxy-4-Methoxyxanthone
Representations & DB's id
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| ChEBI: | CHEBI:67553 | |
|---|---|---|
| ChEMBL: | CHEMBL484030 | |
| PubChem: | 5465785 | |
| IUPAC: | 1,7-dihydroxy-4-methoxyxanthen-9-one | |
| Standard InChI: | InChI=1S/C14H10O5/c1-18-11-5-3-9(16)12-13(17)8-6-7(15)2-4-10(8)19-14(11)12/h2-6,15-16H,1H3 | |
| Standard InChI Key: | YDZGWMWSKOGVLG-UHFFFAOYSA-N | |
| SMILES: | COc1ccc(c2c1oc1ccc(cc1c2=O)O)O | |
Molecular propeties
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| AlogP: | 2.37 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 258.05 | |
| Topological polar surface area: | 76 | |
| 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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