Santin
Representations & DB's id
| ||
| ChEBI: | CHEBI:9024 | |
|---|---|---|
| ChEMBL: | CHEMBL161957 | |
| PubChem: | 5281695 | |
| IUPAC: | 5,7-dihydroxy-3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one | |
| Standard InChI: | InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3 | |
| Standard InChI Key: | DWZAJFZEYZIHPO-UHFFFAOYSA-N | |
| SMILES: | COc1ccc(cc1)c1oc2cc(O)c(c(c2c(=O)c1OC)O)OC | |
Molecular propeties
| ||
| AlogP: | 2.9 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 3 | |
| Molecular Weight: | 344.09 | |
| Topological polar surface area: | 94.4 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.167 | |
| Number of carbons: | 18 | |