1-(2-Hydroxy-4-Methoxyphenyl)-3-(4-Hydroxyphenyl)Prop-2-En-1-One
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2333805 | |
| PubChem: | 6537040 | |
| IUPAC: | (E)-1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one | |
| Standard InChI: | InChI=1S/C16H14O4/c1-20-13-7-8-14(16(19)10-13)15(18)9-4-11-2-5-12(17)6-3-11/h2-10,17,19H,1H3/b9-4+ | |
| Standard InChI Key: | MOESXQFGHNEYAH-RUDMXATFSA-N | |
| SMILES: | COc1ccc(c(c1)O)C(=O)/C=C/c1ccc(cc1)O | |
Molecular propeties
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| AlogP: | 3 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 2 | |
| Molecular Weight: | 270.09 | |
| Topological polar surface area: | 66.8 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.062 | |
| Number of carbons: | 16 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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