7-Methoxy-3-(4-Methoxybenzylidene)Chroman-4-One
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL250405 | |
| PubChem: | 6507117 | |
| IUPAC: | (3E)-7-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one | |
| Standard InChI: | InChI=1S/C18H16O4/c1-20-14-5-3-12(4-6-14)9-13-11-22-17-10-15(21-2)7-8-16(17)18(13)19/h3-10H,11H2,1-2H3/b13-9+ | |
| Standard InChI Key: | JSIHERQFDBWWJU-UKTHLTGXSA-N | |
| SMILES: | COc1ccc(cc1)/C=C/1COc2c(C1=O)ccc(c2)OC | |
Molecular propeties
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| AlogP: | 3.36 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 3 | |
| Molecular Weight: | 296.1 | |
| Topological polar surface area: | 44.8 | |
| 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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