2'-Hydroxy-2,3,4',6',Tetramethoxychalcone
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1254091 | |
| PubChem: | 10337542 | |
| IUPAC: | (E)-3-(2,3-dimethoxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one | |
| Standard InChI: | InChI=1S/C19H20O6/c1-22-13-10-15(21)18(17(11-13)24-3)14(20)9-8-12-6-5-7-16(23-2)19(12)25-4/h5-11,21H,1-4H3/b9-8+ | |
| Standard InChI Key: | LYUYMCWIWGASRX-CMDGGOBGSA-N | |
| SMILES: | COc1cc(O)c(c(c1)OC)C(=O)/C=C/c1cccc(c1OC)OC | |
Molecular propeties
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| AlogP: | 3.32 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 7 | |
| Number of rings: | 2 | |
| Molecular Weight: | 344.13 | |
| Topological polar surface area: | 74.2 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.211 | |
| Number of carbons: | 19 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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