Glycycoumarin
Representations & DB's id
| ||
| ChEBI: | CHEBI:69087 | |
|---|---|---|
| ChEMBL: | CHEMBL1223642 | |
| PubChem: | 5317756 | |
| IUPAC: | 3-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)chromen-2-one | |
| Standard InChI: | InChI=1S/C21H20O6/c1-11(2)4-6-14-18(24)10-19-16(20(14)26-3)9-15(21(25)27-19)13-7-5-12(22)8-17(13)23/h4-5,7-10,22-24H,6H2,1-3H3 | |
| Standard InChI Key: | NZYSZZDSYIBYLC-UHFFFAOYSA-N | |
| SMILES: | COc1c(CC=C(C)C)c(O)cc2c1cc(c(=O)o2)c1ccc(cc1O)O | |
Molecular propeties
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| AlogP: | 4.09 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 3 | |
| Molecular Weight: | 368.13 | |
| Topological polar surface area: | 96.2 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.19 | |
| Number of carbons: | 21 | |