3-(3,4-Dimethoxybenzylidene)-7-Methoxychroman-4-One
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL597065 | |
| PubChem: | 5783568 | |
| IUPAC: | (3E)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxychromen-4-one | |
| Standard InChI: | InChI=1S/C19H18O5/c1-21-14-5-6-15-17(10-14)24-11-13(19(15)20)8-12-4-7-16(22-2)18(9-12)23-3/h4-10H,11H2,1-3H3/b13-8+ | |
| Standard InChI Key: | YKRAQIAZPKGEIC-MDWZMJQESA-N | |
| SMILES: | COc1ccc2c(c1)OC/C(=Cc1ccc(c(c1)OC)OC)/C2=O | |
Molecular propeties
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| AlogP: | 3.37 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 3 | |
| Molecular Weight: | 326.12 | |
| Topological polar surface area: | 54 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.211 | |
| Number of carbons: | 19 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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