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Substance Name: Cyanidin 3-O-glucoside
RN: 7084-24-4
UNII: 8X15R84UEM
InChIKey: YTMNONATNXDQJF-UBNZBFALSA-N

Notes

  • From plant of family Asteraceae.
  • Purple corn color; has neuroprotective activity.

Molecular Formula

  • C21-H21-O11.Cl

Molecular Weight

  • 484.839
 

Classification Code

  • Drug / Therapeutic Agent
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Names and Synonyms

Name of Substance

  • Cyanidin 3-O-glucoside

Synonyms

  • Asterin
  • Chrysontemin
  • Cyanidin 3 glucoside
  • Cyanidin 3-glucoside
  • Cyanidin 3-monoglucoside
  • Cyanidin 3-O-glucoside
  • Cyanidin-3-glucoside chloride
  • Cyanidine 3-glucoside
  • Cyanidol 3-glucoside
  • EINECS 230-384-7
  • Glucocyanidin
  • UNII-8X15R84UEM

Systematic Names

  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-, chloride
  • 1-Benzopyrylium, 5,7-dihydroxy-2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-, chloride
  • 2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-1-benzopyrylium chloride
  • Chrysanthemin (6CI,8CI)

Registry Numbers

CAS Registry Number

  • 7084-24-4

FDA UNII

  • 8X15R84UEM

System Generated Number

  • 0007084244

Molecular Formulas

Molecular Formula

  • C21-H21-O11.Cl

Molecular Formula Fragments

  • C21-H21-O11
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C21H20O11.ClH/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8;/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26);1H/t16-,17-,18+,19-,21-;/m1./s1

InChIKey

YTMNONATNXDQJF-UBNZBFALSA-N

Smiles

[o+]1c(c(cc2c1cc(cc2O)O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)c1cc(c(cc1)O)O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #4229439,