5-Hydroxy-3,6,7-Trimethoxy-2-(4-Methoxyphenyl)Chromen-4-One
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL521934 | |
| PubChem: | 5318355 | |
| IUPAC: | 5-hydroxy-3,6,7-trimethoxy-2-(4-methoxyphenyl)chromen-4-one | |
| Standard InChI: | InChI=1S/C19H18O7/c1-22-11-7-5-10(6-8-11)17-19(25-4)16(21)14-12(26-17)9-13(23-2)18(24-3)15(14)20/h5-9,20H,1-4H3 | |
| Standard InChI Key: | ADNCDMHZHONBRR-UHFFFAOYSA-N | |
| SMILES: | COc1ccc(cc1)c1oc2cc(OC)c(c(c2c(=O)c1OC)O)OC | |
Molecular propeties
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| AlogP: | 3.2 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 3 | |
| Molecular Weight: | 358.11 | |
| Topological polar surface area: | 83.4 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.211 | |
| Number of carbons: | 19 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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