3',5,7-Trihydroxy-4',5',6-Trimethoxyisoflavone

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Properties Simple | Detailed

Formula C18H16O8
IUPAC Name 5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxy-phenyl)-6-methoxy-chromen-4-one
Molecular Mass 360.315 g·mol−1
Heat of Formation -1082.3 ± 16.7 kJ·mol−1
Dipole Moment 2.14 ± 1.08 D
Volume 388.37 Å 3
Surface Area 348.21 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • 5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxy-phenyl)-6-methoxy-chromone
  • 5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4-benzopyrone
  • 5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4-chromenone
  • 5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxychromen-4-one
  • irigenin
CAS Number(s)
  • 548-76-5
InChIKey TUGWPJJTQNLKCL-UHFFFAOYSA-N
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