Isoimperatorin
Representations & DB's id
| ||
| ChEBI: | CHEBI:66071 | |
|---|---|---|
| ChEMBL: | CHEMBL448060 | |
| PubChem: | 68081 | |
| IUPAC: | 4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one | |
| Standard InChI: | InChI=1S/C16H14O4/c1-10(2)5-7-19-16-11-3-4-15(17)20-14(11)9-13-12(16)6-8-18-13/h3-6,8-9H,7H2,1-2H3 | |
| Standard InChI Key: | IGWDEVSBEKYORK-UHFFFAOYSA-N | |
| SMILES: | CC(=CCOc1c2ccoc2cc2c1ccc(=O)o2)C | |
Molecular propeties
| ||
| AlogP: | 3.88 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 3 | |
| Molecular Weight: | 270.09 | |
| Topological polar surface area: | 48.7 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.188 | |
| Number of carbons: | 16 | |