Licochalcone B
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2437372 | |
| PubChem: | 5318999 | |
| IUPAC: | (E)-3-(3,4-dihydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one | |
| Standard InChI: | InChI=1S/C16H14O5/c1-21-16-11(5-9-14(19)15(16)20)4-8-13(18)10-2-6-12(17)7-3-10/h2-9,17,19-20H,1H3/b8-4+ | |
| Standard InChI Key: | DRDRYGIIYOPBBZ-XBXARRHUSA-N | |
| SMILES: | COc1c(/C=C/C(=O)c2ccc(cc2)O)ccc(c1O)O | |
Molecular propeties
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| AlogP: | 2.71 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 2 | |
| Molecular Weight: | 286.08 | |
| Topological polar surface area: | 87 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.062 | |
| Number of carbons: | 16 | |