Melisimplin
2-(1,3-benzodioxol-5-yl)-5-hydroxy-3,6,7-trimethoxychromen-4-one
Also Known As: Melisimplin|NCI60_027968|5-Hydroxy-3,6,7-trimethoxy-3',4'-(methylenedioxy)flavone|5-Hydroxy-3,6,7-trimethoxy-3',4'-methylenedioxyflavone|5-Hydroxy-3,7-trimethoxy-3',4'-methylenedioxyflavone|5-Hydroxy-3,6,7-trimethoxy-3', 4'-methylenedioxyflavone|5-Hydroxy-3,6,7-trimethoxy-3 ,4 -methylenedioxyflavone|2-(1,3-benzodioxol-5-yl)-5-hydroxy-3,6,7-trimethoxychromen-4-one|2-(1,3-Benzodioxol-5-yl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one|2-(1,3-benzodioxol-5-yl)-5-hydroxy-3,6,7-trimethoxy-chromen-4-one|2-(2H-1,3-benzodioxol-5-yl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one
| Molecular Formula | C19H16O8 |
|---|---|
| Molecular Weight | 372.0845 g/mol |
| LogP | 2.9201 |
| Topological Polar Surface Area | 96.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.0845 |
| Monoisotopic Mass | 372.0845 |
| Heavy Atoms | 27 |
| Complexity | 1099.2855 |
Chemical Identifiers
| CAS Number | 485-53-0 |
|---|---|
| SMILES | COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC4=C(C=C3)OCO4)O)OC |
Product Overview
Melisimplin (CAS 485-53-0), with molecular formula C19H16O8 and molecular weight 372.0845 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-5-hydroxy-3,6,7-trimethoxychromen-4-one.