(E)-1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL518309 | |
| PubChem: | 21722044 | |
| IUPAC: | (E)-1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one | |
| Standard InChI: | InChI=1S/C18H18O5/c1-11-15(22-2)10-16(23-3)17(18(11)21)14(20)9-6-12-4-7-13(19)8-5-12/h4-10,19,21H,1-3H3/b9-6+ | |
| Standard InChI Key: | SEWZLIZAUPQMMM-RMKNXTFCSA-N | |
| SMILES: | COc1cc(OC)c(c(c1C(=O)/C=C/c1ccc(cc1)O)O)C | |
Molecular propeties
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| AlogP: | 3.32 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 2 | |
| Molecular Weight: | 314.12 | |
| Topological polar surface area: | 76 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.167 | |
| Number of carbons: | 18 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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