1,7-Dihydroxy-2,3-Methylenedioxyxanthone
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2436930 | |
| PubChem: | 5316803 | |
| IUPAC: | 8,11-dihydroxy-[1,3]dioxolo[4,5-b]xanthen-10-one | |
| Standard InChI: | InChI=1S/C14H8O6/c15-6-1-2-8-7(3-6)12(16)11-9(20-8)4-10-14(13(11)17)19-5-18-10/h1-4,15,17H,5H2 | |
| Standard InChI Key: | BMRWSZGEVSNEOM-UHFFFAOYSA-N | |
| SMILES: | Oc1ccc2c(c1)c(=O)c1c(o2)cc2c(c1O)OCO2 | |
Molecular propeties
| ||
| AlogP: | 2.09 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 4 | |
| Molecular Weight: | 272.03 | |
| Topological polar surface area: | 85.2 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.071 | |
| Number of carbons: | 14 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|