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Substance Name: Quercetin
RN: 117-39-5
UNII: 9IKM0I5T1E
InChIKey: REFJWTPEDVJJIY-UHFFFAOYSA-N

Note

  • A flavonol widely distributed in plants. It is an antioxidant, like many other phenolic heterocyclic compounds. Glycosylated forms include RUTIN and quercetrin.

Molecular Formula

  • C15-H10-O7

Molecular Weight

  • 302.237
 

Classification Codes

Classification Codes

  • Antioxidants
  • Antiviral (COVID-19)
  • Mutation Data
  • Natural Product
  • Protective Agents
  • Reproductive Effect
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3

Names and Synonyms

Name of Substance

  • 3,3',4',5,7-Pentahydroxyflavone
  • Quercetin

MeSH Heading

  • Quercetin

Synonyms

  • 3',4',5,7-Tetrahydroxyflavan-3-ol
  • 3,3',4',5,7-Pentahydroxyflavone
  • 3,5,7,3',4'-Pentahydroxyflavone
  • 3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-on
  • 5-18-05-00494 (Beilstein Handbook Reference)
  • AI3-26018
  • BRN 0317313
  • C.I. 75670
  • C.I. Natural Yellow 10
  • CCRIS 1639
  • CI 75670
  • CI Natural Yellow 10
  • Cyanidelonon 1522
  • EINECS 204-187-1
  • Flavin meletin
  • Flavone, 3,3',4',5,7-pentahydroxy-
  • HSDB 3529
  • Kvercetin
  • Kvercetin [Czech]
  • Meletin
  • NCI-C60106
  • NSC 9219
  • NSC 9221
  • Quercetin
  • Quercetin content
  • Quercetine
  • Quercetol
  • Quercitin
  • Quertine
  • Sophoretin
  • T-Gelb bzw. grun 1
  • UNII-9IKM0I5T1E
  • Xanthaurine

Systematic Names

  • 3,3',4',5,7-Pentahydroxyflavone
  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-
  • Flavone, 3,3',4',5,7-pentahydroxy-
  • Quercetin

Superlist Names

  • Natural Yellow 10
  • Quercetin

Registry Numbers

CAS Registry Number

  • 117-39-5

FDA UNII

  • 9IKM0I5T1E

Other Registry Numbers

  • 73123-10-1
  • 74893-81-5

System Generated Number

  • 0000117395

Structure Descriptors

InChI

InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H

InChIKey

REFJWTPEDVJJIY-UHFFFAOYSA-N

Smiles

OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3gm/kg (3000mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)		 Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 64, Pg. 186, 1968.
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02589,
mouse LD50 oral 159mg/kg (159mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION		 Proceedings of the Society for Experimental Biology and Medicine. Vol. 77, Pg. 269, 1951.
mouse LD50 subcutaneous 97mg/kg (97mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE WEAKNESS		 Proceedings of the Society for Experimental Biology and Medicine. Vol. 77, Pg. 269, 1951.
rabbit LD50 intravenous 100mg/kg (100mg/kg)   FAO Nutrition Meetings Report Series. Vol. 46A, Pg. 18, 1969.
rat LD50 oral 161mg/kg (161mg/kg)   Reviews of Environmental Contamination and Toxicology. Vol. 113, Pg. 47, 1990.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 316.5 deg C   EXP
log P (octanol-water) 1.480 (none)   EST
Water Solubility 60 mg/L 16 EXP
Vapor Pressure 2.81E-14 mm Hg 25 EST
Henry's Law Constant 6.60E-21 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.39E-10 cm3/molecule-sec 25 EST

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