(2E)-3-(4-Hydroxyphenyl)-1-[2,4,6-Trihydroxy-3-(3-Methyl-2-Buten-1-Yl)Phenyl]-2-Propen-1-One

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Properties Simple | Detailed

Formula C20H20O5
IUPAC Name (e)-3-(4-hydroxyphenyl)-1-[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
Molecular Mass 340.370 g·mol−1
Heat of Formation -725.6 ± 16.7 kJ·mol−1
Dipole Moment 1.93 ± 1.08 D
Volume 404.51 Å 3
Surface Area 356.31 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 2.31 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(4-hydroxyphenyl)-1-[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
  • 2-propen-1-one, 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl)-, (2e)-
  • acon1_001231
  • desmethylxanthohumol
  • megxp0_001775
CAS Number(s)
  • 115063-39-3
InChIKey FUSADYLVRMROPL-UXBLZVDNSA-N
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