2',4'-Dihydroxy-4,6'-Dimethoxy-3'-Prenylchalcone
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1165313 | |
| PubChem: | 23251192 | |
| IUPAC: | (E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one | |
| Standard InChI: | InChI=1S/C22H24O5/c1-14(2)5-11-17-19(24)13-20(27-4)21(22(17)25)18(23)12-8-15-6-9-16(26-3)10-7-15/h5-10,12-13,24-25H,11H2,1-4H3/b12-8+ | |
| Standard InChI Key: | HOOCUUOYPZNVKX-XYOKQWHBSA-N | |
| SMILES: | COc1cc(O)c(c(c1C(=O)/C=C/c1ccc(cc1)OC)O)CC=C(C)C | |
Molecular propeties
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| AlogP: | 4.52 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 7 | |
| Number of rings: | 2 | |
| Molecular Weight: | 368.16 | |
| Topological polar surface area: | 76 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.227 | |
| Number of carbons: | 22 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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