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Substance Name: Isoquercitrin
RN: 21637-25-2
UNII: 0YX10VRV6J
InChIKey: OPJZLUXFQFQYAI-GNPVFZCLSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C21-H20-O12

Molecular Weight

  • 464.377
 
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Names and Synonyms

Name of Substance

  • Isoquercitrin

Synonyms

  • 3,3',4',5,7-Pentahydroxyflavone 3-beta-D-glucofuranoside
  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-
  • CCRIS 7093
  • EINECS 244-488-5
  • Isoquercitrin
  • Isoquercitroside
  • Isotrifolin
  • UNII-0YX10VRV6J

Systematic Names

  • 2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one
  • Flavone, 3,3',4',5,7-pentahydroxy-, 3-beta-D-glucofuranoside

Registry Numbers

CAS Registry Number

  • 21637-25-2

FDA UNII

  • 0YX10VRV6J

System Generated Number

  • 0021637252

Structure Descriptors

InChI

InChI=1S/C21H20O12/c22-6-12(27)19-16(29)17(30)21(32-19)33-20-15(28)14-11(26)4-8(23)5-13(14)31-18(20)7-1-2-9(24)10(25)3-7/h1-5,12,16-17,19,21-27,29-30H,6H2/t12-,16-,17-,19-,21+/m1/s1

InChIKey

OPJZLUXFQFQYAI-GNPVFZCLSA-N

Smiles

OC[C@@H](O)[C@H]1O[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[C@H](O)[C@H]1O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 226 deg C   EXP
log P (octanol-water) -0.100 (none)   EST
Atmospheric OH Rate Constant 3.62E-10 cm3/molecule-sec 25 EST

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