Isopimpinellin
Representations & DB's id
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| ChEBI: | CHEBI:28853 | |
|---|---|---|
| ChEMBL: | CHEMBL140796 | |
| PubChem: | 68079 | |
| IUPAC: | 4,9-dimethoxyfuro[3,2-g]chromen-7-one | |
| Standard InChI: | InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3 | |
| Standard InChI Key: | DFMAXQKDIGCMTL-UHFFFAOYSA-N | |
| SMILES: | COc1c2ccc(=O)oc2c(c2c1cco2)OC | |
Molecular propeties
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| AlogP: | 2.56 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 246.05 | |
| Topological polar surface area: | 57.9 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.154 | |
| Number of carbons: | 13 | |