Isoxanthohumol

Molecule SVG Image

Properties Simple | Detailed

Formula C21H22O5
IUPAC Name (2s)-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)chroman-4-one
Molecular Mass 354.396 g·mol−1
Heat of Formation -710.2 ± 16.7 kJ·mol−1
Dipole Moment 1.67 ± 1.08 D
Volume 420.36 Å 3
Surface Area 347.62 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-4-chromanone
  • (2s)-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)chroman-4-one
InChIKey YKGCBLWILMDSAV-SFHVURJKSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O