Isoglycycoumarin
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3809065 | |
| PubChem: | 14187587 | |
| IUPAC: | 7-(2,4-dihydroxyphenyl)-5-methoxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one | |
| Standard InChI: | InChI=1S/C21H20O6/c1-21(2)7-6-13-18(27-21)10-17-15(19(13)25-3)9-14(20(24)26-17)12-5-4-11(22)8-16(12)23/h4-5,8-10,22-23H,6-7H2,1-3H3 | |
| Standard InChI Key: | PHHAXWBLJNBVNS-UHFFFAOYSA-N | |
| SMILES: | COc1c2CCC(Oc2cc2c1cc(c(=O)o2)c1ccc(cc1O)O)(C)C | |
Molecular propeties
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| AlogP: | 3.98 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 4 | |
| Molecular Weight: | 368.13 | |
| Topological polar surface area: | 85.2 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.286 | |
| Number of carbons: | 21 | |