Isosakutanetin
Representations & DB's id
| ||
| ChEBI: | CHEBI:27552 | |
|---|---|---|
| ChEMBL: | CHEMBL470266 | |
| PubChem: | 160481 | |
| IUPAC: | (2S)-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one | |
| Standard InChI: | InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1 | |
| Standard InChI Key: | HMUJXQRRKBLVOO-AWEZNQCLSA-N | |
| SMILES: | COc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O | |
Molecular propeties
| ||
| AlogP: | 2.81 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 286.08 | |
| Topological polar surface area: | 76 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.188 | |
| Number of carbons: | 16 | |