Licochalcone E
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1779057 | |
| PubChem: | 46209991 | |
| IUPAC: | (E)-3-[4-hydroxy-2-methoxy-5-[(2S)-3-methylbut-3-en-2-yl]phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one | |
| Standard InChI: | InChI=1S/C21H22O4/c1-13(2)14(3)18-11-16(21(25-4)12-20(18)24)7-10-19(23)15-5-8-17(22)9-6-15/h5-12,14,22,24H,1H2,2-4H3/b10-7+/t14-/m0/s1 | |
| Standard InChI Key: | SWPKMTGYQGHLJS-RNVIBTMRSA-N | |
| SMILES: | COc1cc(O)c(cc1/C=C/C(=O)c1ccc(cc1)O)[C@H](C(=C)C)C | |
Molecular propeties
| ||
| AlogP: | 4.68 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 2 | |
| Molecular Weight: | 338.15 | |
| Topological polar surface area: | 66.8 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.19 | |
| Number of carbons: | 21 | |