(2E)-1-{2,4-Dihydroxy-3-[(2S)-2-Hydroxy-3-Methyl-3-Buten-1-Yl]-6-Methoxyphenyl}-3-(4-Hydroxyphenyl)-2-Propen-1-One

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Properties Simple | Detailed

Formula C21H22O6
IUPAC Name (e)-1-[2,4-dihydroxy-3-[(2s)-2-hydroxy-3-methyl-but-3-enyl]-6-methoxy-phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Molecular Mass 370.396 g·mol−1
Heat of Formation -835.7 ± 16.7 kJ·mol−1
Dipole Moment 3.35 ± 1.08 D
Volume 442.04 Å 3
Surface Area 392.34 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • (2e)-1-[2,4-dihydroxy-3-(2-hydroxy-3-methylbut-3-en-1-yl)-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
  • (e)-1-[2,4-dihydroxy-3-[(2s)-2-hydroxy-3-methyl-but-3-enyl]-6-methoxy-phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
  • (e)-1-[2,4-dihydroxy-3-[(2s)-2-hydroxy-3-methylbut-3-enyl]-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
  • 1-[2,4-dihydroxy-3-(2-hydroxy-3-methyl-but-3-enyl)-6-methoxy-phenyl]-3-(4-hydroxy-phenyl)-propenone
  • 2-propen-1-one, 1-[2,4-dihydroxy-3-(2-hydroxy-3-methyl-3-butenyl)-6-methoxyphenyl]-3-(4-hydroxyphenyl)-, (2e)-
  • xanthohumol d
InChIKey IIWLGOCXDBSFCM-NADMHLTPSA-N
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