Licoarylcoumarin
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3808458 | |
| PubChem: | 10090416 | |
| IUPAC: | 3-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(2-methylbut-3-en-2-yl)chromen-2-one | |
| Standard InChI: | InChI=1S/C21H20O6/c1-5-21(2,3)18-16(24)10-17(26-4)14-9-13(20(25)27-19(14)18)12-7-6-11(22)8-15(12)23/h5-10,22-24H,1H2,2-4H3 | |
| Standard InChI Key: | LCRIQVFKVCYUAO-UHFFFAOYSA-N | |
| SMILES: | C=CC(c1c(O)cc(c2c1oc(=O)c(c2)c1ccc(cc1O)O)OC)(C)C | |
Molecular propeties
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| AlogP: | 4.05 | |
|---|---|---|
| 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 | |