Xanthohumol

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Properties Simple | Detailed

Formula C21H22O5
IUPAC Name (e)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Molecular Mass 354.396 g·mol−1
Heat of Formation -674.8 ± 16.7 kJ·mol−1
Dipole Moment 2.52 ± 1.08 D
Volume 429.24 Å 3
Surface Area 367.54 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
Synonyms
  • (2e)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
  • (e)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
  • 1-(2,4-dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl)-3-(4-hydroxyphenyl)-2-propen-1-one
  • 2-propen-1-one, 1-(2,4-hydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl)-3-(4-hydroxyphenyl)-, (e)-
  • 2-propen-1-one, 1-[2,4-dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl]-3-(4-hydroxyphenyl)-, (2e)-
  • acon1_001634
  • megxp0_000104
  • smp2_000278
  • xanthohumol hop (humulus lupulus)
CAS Number(s)
  • 6754-58-1
InChIKey ORXQGKIUCDPEAJ-YRNVUSSQSA-N
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