1,3,5,6-Tetrahydroxyxanthen-9-One
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL448040 | |
| PubChem: | 5479774 | |
| IUPAC: | 1,3,5,6-tetrahydroxyxanthen-9-one | |
| Standard InChI: | InChI=1S/C13H8O6/c14-5-3-8(16)10-9(4-5)19-13-6(11(10)17)1-2-7(15)12(13)18/h1-4,14-16,18H | |
| Standard InChI Key: | CCEBJWKUMKKCDF-UHFFFAOYSA-N | |
| SMILES: | Oc1cc(O)c2c(c1)oc1c(c2=O)ccc(c1O)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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