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Substance Name: Quercitrin
RN: 522-12-3
UNII: 2Y8906LC5P
InChIKey: OXGUCUVFOIWWQJ-HQBVPOQASA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C21-H20-O11

Molecular Weight

  • 448.378
 
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Names and Synonyms

Name of Substance

  • Quercitrin

Synonyms

  • 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside
  • 3-((6-Deoxy-alpha-L-mannopyranosyl)-oxy)-2-(3,4-dihydr oxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
  • 4H-1-Benzopyran-4-one, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
  • 5-18-05-00514 (Beilstein Handbook Reference)
  • AI3-36095
  • BRN 0068135
  • C.I. 75720
  • CI 75720
  • EINECS 208-322-5
  • Flavone, 3,3',4',5,7-pentahydroxy-, 3-(6-deoxy-alpha-L-mannopyranoside)
  • Flavone, 3,3',4',5,7-pentahydroxy-, 3-rhamnoside
  • HSDB 4339
  • Mannopyranoside, quercetin-3 6-deoxy-, alpha-L-
  • NCI-C60102
  • NSC 9221
  • Quercetin 3-O-alpha-L-rhamnoside
  • Quercetin 3-O-rhamnoside
  • Quercetin 3-rhamnoside
  • Quercetin, 3-(6-deoxy-alpha-L-mannopyranoside)
  • Quercetin-3-L-rhamnoside
  • Quercetin-3-O-rhamnoside
  • Quercetin-3-rhamnoside
  • Quercetrin
  • Quercetrin-3-O-rham
  • Quercimelin
  • Quercitin-3-rhamnoside
  • Quercitrin
  • Quercitroside
  • Rhamnoside, quercetin-3
  • Rhamnosyl-3-quercitin
  • Thujin
  • UNII-2Y8906LC5P
  • USAF CF-2

Systematic Names

  • 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-benzopyran-4-one
  • 4H-1-Benzopyran-4-one, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy- (9CI)
  • Quercitrin

Registry Numbers

CAS Registry Number

  • 522-12-3

FDA UNII

  • 2Y8906LC5P

System Generated Number

  • 0000522123

Structure Descriptors

InChI

1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1

InChIKey

OXGUCUVFOIWWQJ-HQBVPOQASA-N

Smiles

c1(c(c(=O)c2c(o1)cc(cc2O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)c1cc(c(cc1)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD277-689,
rabbit LD intravenous > 150mg/kg (150mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 41, Pg. 119, 1952.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 170 deg C   EXP
log P (octanol-water) 0.430 (none)   EST
Water Solubility 64 mg/L 16 EXP
Vapor Pressure 1.34E-21 mm Hg 25 EST
Henry's Law Constant 1.73E-30 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.05E-10 cm3/molecule-sec 25 EST

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