Gemichalcone A
[(Z)-4-[2,6-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]-2-methylbut-2-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Also Known As: Gemichalcone A|3'-(4-Feruloyloxy-3-methylbutyl-2(Z)-enyl)-4,2',4'-trihydroxychalcone|((Z)-4-(2,6-dihydroxy-3-((E)-3-(4-hydroxyphenyl)prop-2-enoyl)phenyl)-2-methylbut-2-enyl) (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate|(2Z)-4-{2,6-dihydroxy-3-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl}-2-methylbut-2-en-1-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate|[(Z)-4-[2,6-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]-2-methylbut-2-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate|3-Methoxy-4-hydroxy-trans-cinnamic acid (Z)-2-methyl-4-[2,6-dihydroxy-3-(4-hydroxy-trans-cinnamoyl)phenyl]-2-butenyl ester
| Molecular Formula | C30H28O8 |
|---|---|
| Molecular Weight | 516.1784 g/mol |
| LogP | 5.1591 |
| Topological Polar Surface Area | 133.52 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 516.1784 |
| Monoisotopic Mass | 516.1784 |
| Heavy Atoms | 38 |
| Complexity | 1398.4954 |
Chemical Identifiers
| CAS Number | 189031-25-2 |
|---|---|
| SMILES | C/C(=C/CC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)O)/COC(=O)/C=C/C3=CC(=C(C=C3)O)OC |
Product Overview
Gemichalcone A (CAS 189031-25-2), with molecular formula C30H28O8 and molecular weight 516.1784 g/mol. IUPAC: [(Z)-4-[2,6-dihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]-2-methylbut-2-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate.
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