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Substance Name: Hesperetin
RN: 520-33-2
UNII: Q9Q3D557F1
InChIKey: AIONOLUJZLIMTK-AWEZNQCLSA-N

Note

  • Aglycone of HESPERIDIN.

Molecular Formula

  • C16-H14-O6

Molecular Weight

  • 302.281
 
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Names and Synonyms

Name of Substance

  • Hesperetin

Synonyms

  • 3',5,7-Trihydroxy-4'-methoxyflavanone
  • 5,7,3'-Trihydroxy-4'-methoxyflavanone
  • EINECS 208-290-2
  • Hesperetin
  • Hesperitin
  • NSC 57654
  • UNII-Q9Q3D557F1

Systematic Names

  • (S)-2,3-Dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone
  • 3',5,7-Trihydroxy-4'-methoxyflavanone
  • 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)- (9CI)
  • Flavanone, 3',5,7-trihydroxy-4'-methoxy- (VAN) (8CI)

Registry Numbers

CAS Registry Number

  • 520-33-2

FDA UNII

  • Q9Q3D557F1

System Generated Number

  • 0000520332

Structure Descriptors

InChI

1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1

InChIKey

AIONOLUJZLIMTK-AWEZNQCLSA-N

Smiles

c12C(C[C@H](Oc1cc(cc2O)O)c1cc(O)c(cc1)OC)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 227.5 deg C   EXP
log P (octanol-water) 2.6 (none)   EXP
Water Solubility 273 mg/L 25 EST
Vapor Pressure 2.10E-11 mm Hg 25 EST
Henry's Law Constant 1.73E-18 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.48E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.