6,7-Dimethoxy-3-(2,4,5-Trimethoxyphenyl)Chromen-4-One
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL234933 | |
| PubChem: | 632958 | |
| IUPAC: | 6,7-dimethoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one | |
| Standard InChI: | InChI=1S/C20H20O7/c1-22-14-8-18(25-4)16(23-2)6-11(14)13-10-27-15-9-19(26-5)17(24-3)7-12(15)20(13)21/h6-10H,1-5H3 | |
| Standard InChI Key: | ADVSBKKAOLGTQF-UHFFFAOYSA-N | |
| SMILES: | COc1cc(OC)c(cc1OC)c1coc2c(c1=O)cc(c(c2)OC)OC | |
Molecular propeties
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| AlogP: | 3.5 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 3 | |
| Molecular Weight: | 372.12 | |
| Topological polar surface area: | 72.4 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.25 | |
| Number of carbons: | 20 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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