Licoagrochalcone A
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL229885 | |
| PubChem: | 11099375 | |
| IUPAC: | (E)-1-(2,4-dihydroxyphenyl)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one | |
| Standard InChI: | InChI=1S/C20H20O4/c1-13(2)3-6-15-11-14(4-9-18(15)22)5-10-19(23)17-8-7-16(21)12-20(17)24/h3-5,7-12,21-22,24H,6H2,1-2H3/b10-5+ | |
| Standard InChI Key: | TVUGLERLRIQATC-BJMVGYQFSA-N | |
| SMILES: | CC(=CCc1cc(/C=C/C(=O)c2ccc(cc2O)O)ccc1O)C | |
Molecular propeties
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| AlogP: | 4.21 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 2 | |
| Molecular Weight: | 324.14 | |
| Topological polar surface area: | 77.8 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.15 | |
| Number of carbons: | 20 | |