1,2,6,8-Tetrahydroxyxanthen-9-One
Representations & DB's id
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| ChEBI: | CHEBI:7637 | |
|---|---|---|
| ChEMBL: | CHEMBL187043 | |
| PubChem: | 5281658 | |
| IUPAC: | 1,2,6,8-tetrahydroxyxanthen-9-one | |
| Standard InChI: | InChI=1S/C13H8O6/c14-5-3-7(16)10-9(4-5)19-8-2-1-6(15)12(17)11(8)13(10)18/h1-4,14-17H | |
| Standard InChI Key: | RVOUOPDWADMVBA-UHFFFAOYSA-N | |
| SMILES: | Oc1cc(O)c2c(c1)oc1c(c2=O)c(O)c(cc1)O | |
Molecular propeties
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| AlogP: | 1.77 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 3 | |
| Molecular Weight: | 260.03 | |
| Topological polar surface area: | 107 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0 | |
| Number of carbons: | 13 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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