2',4,4'-Trihydroxy-6'-Methoxy-3',5'-Diprenylchalcone
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL471777 | |
| PubChem: | 23250008 | |
| IUPAC: | (E)-1-[2,4-dihydroxy-6-methoxy-3,5-bis(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one | |
| Standard InChI: | InChI=1S/C26H30O5/c1-16(2)6-13-20-24(29)21(14-7-17(3)4)26(31-5)23(25(20)30)22(28)15-10-18-8-11-19(27)12-9-18/h6-12,15,27,29-30H,13-14H2,1-5H3/b15-10+ | |
| Standard InChI Key: | HOTYOZVURUOVTK-XNTDXEJSSA-N | |
| SMILES: | COc1c(C(=O)/C=C/c2ccc(cc2)O)c(O)c(c(c1CC=C(C)C)O)CC=C(C)C | |
Molecular propeties
| ||
| AlogP: | 5.73 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 8 | |
| Number of rings: | 2 | |
| Molecular Weight: | 422.21 | |
| Topological polar surface area: | 87 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.269 | |
| Number of carbons: | 26 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|