3-Deoxysappanchalcone
Representations & DB's id
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| ChEBI: | CHEBI:519567 | |
|---|---|---|
| ChEMBL: | CHEMBL253777 | |
| PubChem: | 5319688 | |
| IUPAC: | (E)-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one | |
| Standard InChI: | InChI=1S/C16H14O4/c1-20-16-10-13(18)7-8-14(16)15(19)9-4-11-2-5-12(17)6-3-11/h2-10,17-18H,1H3/b9-4+ | |
| Standard InChI Key: | PACBGANPVNHGNP-RUDMXATFSA-N | |
| SMILES: | COc1cc(O)ccc1C(=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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