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Substance Name: Quercetin 3-O-glucopyranoside
RN: 482-35-9
UNII: 6HN2PC637T
InChIKey: OVSQVDMCBVZWGM-QSOFNFLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H20-O12

Molecular Weight

  • 464.377
 
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Names and Synonyms

Name of Substance

  • Quercetin 3-O-glucopyranoside

Synonyms

  • 3-Glucosylquercetin
  • 4-18-00-03493 (Beilstein Handbook Reference)
  • BRN 0100989
  • CCRIS 9340
  • Contigoside B
  • Glucosyl 3-quercetin
  • Hirsutrin
  • Isoquercetin
  • Isoquercitrin
  • NSC 115918
  • Q 5
  • Quercetin 3-beta-glucoside
  • Quercetin 3-beta-O-glucoside
  • Quercetin 3-D-glucoside
  • Quercetin 3-monoglucoside
  • Quercetin-3-glucoside
  • Quercetin-3-O-glucopyranoside
  • Quercetol 3-glucoside
  • Quercetol 3-monoglucoside
  • UNII-6HN2PC637T

Systematic Name

  • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-

Registry Numbers

CAS Registry Number

  • 482-35-9

FDA UNII

  • 6HN2PC637T

Other Registry Numbers

  • 1012316-11-8
  • 107438-55-1
  • 1246962-26-4
  • 27215-07-2
  • 28454-82-2
  • 355806-24-5
  • 478367-76-9
  • 61277-38-1
  • 888937-01-7

System Generated Number

  • 0000482359

Structure Descriptors

InChI

1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1

InChIKey

OVSQVDMCBVZWGM-QSOFNFLRSA-N

Smiles

[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)Oc1c(oc2c(c1=O)c(cc(c2)O)O)c1cc(c(cc1)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 5gm/kg (5000mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 326, 1985.