Eupatilin
Representations & DB's id
| ||
| ChEBI: | CHEBI:4932 | |
|---|---|---|
| ChEMBL: | CHEMBL312750 | |
| PubChem: | 5273755 | |
| IUPAC: | 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one | |
| Standard InChI: | InChI=1S/C18H16O7/c1-22-12-5-4-9(6-14(12)23-2)13-7-10(19)16-15(25-13)8-11(20)18(24-3)17(16)21/h4-8,20-21H,1-3H3 | |
| Standard InChI Key: | DRRWBCNQOKKKOL-UHFFFAOYSA-N | |
| SMILES: | COc1cc(ccc1OC)c1cc(=O)c2c(o1)cc(c(c2O)OC)O | |
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 | |