Gemichalcone A structure

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

CAS: 189031-25-2
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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