5,8-Dihydroxy-2,2-Dimethylpyrano[3,2-B]Xanthen-6-One
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL3314602 | |
| PubChem: | 6064803 | |
| IUPAC: | 5,8-dihydroxy-2,2-dimethylpyrano[3,2-b]xanthen-6-one | |
| Standard InChI: | InChI=1S/C18H14O5/c1-18(2)6-5-10-13(23-18)8-14-15(16(10)20)17(21)11-7-9(19)3-4-12(11)22-14/h3-8,19-20H,1-2H3 | |
| Standard InChI Key: | AQJGDWRSGSISRW-UHFFFAOYSA-N | |
| SMILES: | Oc1ccc2c(c1)c(=O)c1c(o2)cc2c(c1O)C=CC(O2)(C)C | |
Molecular propeties
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| AlogP: | 3.54 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 4 | |
| Molecular Weight: | 310.08 | |
| Topological polar surface area: | 76 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.167 | |
| Number of carbons: | 18 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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