|
|
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
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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
* denotes mobile formatted website
Links to Resources
NLM Resources (File Locators)
Regulatory Agencies (Superlist Locators)
Other Resources (Internet Locators)
Search for this InChIKey on the Web
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/h1-5,16-19,21HInChIKey
REFJWTPEDVJJIY-UHFFFAOYSA-NSmiles
OC1=C(Oc2cc(O)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.