3-(4-Hydroxybenzylidene)-7-Methoxychroman-4-One
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL250404 | |
| PubChem: | 14079440 | |
| IUPAC: | (3E)-3-[(4-hydroxyphenyl)methylidene]-7-methoxychromen-4-one | |
| Standard InChI: | InChI=1S/C17H14O4/c1-20-14-6-7-15-16(9-14)21-10-12(17(15)19)8-11-2-4-13(18)5-3-11/h2-9,18H,10H2,1H3/b12-8+ | |
| Standard InChI Key: | LZEBZDHKLPFOHO-XYOKQWHBSA-N | |
| SMILES: | COc1ccc2c(c1)OC/C(=Cc1ccc(cc1)O)/C2=O | |
Molecular propeties
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| AlogP: | 3.06 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 282.09 | |
| Topological polar surface area: | 55.8 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.118 | |
| Number of carbons: | 17 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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