Silibinin

Molecule SVG Image

Properties Simple | Detailed

Formula C22H10O10
IUPAC Name 6-(2-hydroxyethynyl)-2-[3-[3-hydroxy-1-(2-hydroxyethynyl)prop-2-ynyl]-2-(oxomethylene)-1,4-benzodioxin-6-yl]-5-(oxomethylene)tetrahydropyran-3,4-dione
Molecular Mass 434.309 g·mol−1
Heat of Formation -1438.6 ± 16.7 kJ·mol−1
Dipole Moment 2.65 ± 1.08 D
Volume 519.46 Å 3
Surface Area 450.63 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 2.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r)-3,5,7-trihydroxy-2-[(2r,3r)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]chroman-4-one
  • (2r,3r)-3,5,7-trihydroxy-2-[(2r,3r)-2-(4-hydroxy-3-methoxy-phenyl)-3-methylol-2,3-dihydro-1,4-benzodioxin-7-yl]chroman-4-one
  • (2r,3r)-3,5,7-trihydroxy-2-[(2r,3r)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]-4-chromanone
  • (2r,3r)-3,5,7-trihydroxy-2-[(2r,3r)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]chroman-4-one
  • 3,5,7-trihydroxy-2-(3-(4-hydroxy-3-methoxyphenyl)- 2-(hydroxymethyl)-1,4-benzodioxan-6-yl)-4-chromanone
  • 3,5,7-trihydroxy-2-(3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxan-6-yl)-4-chromanone
  • 4h-1-benzopyran-4-one, 2,3-dihydro-2-(2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl)-3,5,7-trihydroxy-, (2r-(2-alpha,3-beta,6(2r*,3r*)))-
  • 4h-1-benzopyran-4-one, 2-(2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl)-2,3-dihydro-3,5,7-trihydroxy-, (2r-(2alpha,3beta,6(2r*,3r*)))-
  • 4h-1-benzopyran-4-one, 2-[(2r,3r)-2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl]-2,3-dihydro-3,5,7-trihydroxy-, (2r,3r)-
  • 7c3mt
  • bb_nc-1044
  • flavobin
  • flavobin spofa
  • megxp0_001301
  • sdccgmls-0066916.p001
  • silliver
  • silybin
  • silybin (7ci)
  • silybine
  • silymarin i
  • silymarine i
  • smp2_000323
InChIKey SEBFKMXJBCUCAI-HKTJVKLFSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O