Casticin

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Properties Simple | Detailed

Formula C19H18O8
IUPAC Name 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-3,6,7-trimethoxy-chromen-4-one
Molecular Mass 374.341 g·mol−1
Heat of Formation -1039.6 ± 16.7 kJ·mol−1
Dipole Moment 3.77 ± 1.08 D
Volume 405.58 Å 3
Surface Area 365.75 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • 3',5-dihydroxy-3,4',6,7-tetramethoxyflavone
  • 4h-1-benzopyran-4-one, 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-
  • 5-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-3,6,7-trimethoxy-chromone
  • 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-4-chromenone
  • 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one
  • vitexicarpin
CAS Number(s)
  • 479-91-4
InChIKey PJQLSMYMOKWUJG-UHFFFAOYSA-N
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