Shikonin

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Properties Simple | Detailed

Formula C16H16O5
IUPAC Name 5,8-dihydroxy-2-[(1r)-1-hydroxy-4-methyl-pent-3-enyl]naphthalene-1,4-dione
Molecular Mass 288.295 g·mol−1
Heat of Formation -751.6 ± 16.7 kJ·mol−1
Dipole Moment 2.27 ± 1.08 D
Volume 328.65 Å 3
Surface Area 301.56 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -2.19 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-naphthalenedione, 5,8-dihydroxy-2-[(1r)-1-hydroxy-4-methyl-3-pentenyl]-
  • 5,8-dihydroxy-2-((r)-1-hydroxy-4-methyl-pent-3-enyl)-[1,4]naphthoquinone
  • 5,8-dihydroxy-2-[(1r)-1-hydroxy-4-methyl-pent-3-enyl]-1,4-naphthoquinone
  • 5,8-dihydroxy-2-[(1r)-1-hydroxy-4-methyl-pent-3-enyl]naphthalene-1,4-dione
  • 5,8-dihydroxy-2-[(1r)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione
  • isoarnebin 4
InChIKey NEZONWMXZKDMKF-SNVBAGLBSA-N
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