Quercetin

• CAS: 117-39-5
• Catalog Number: ACM117395
• Category: Other Products
• Molecular Weight: 302.24
• Molecular Formula: C15H10O7
• Description: It is a flavonol found in many fruits, vegetables, leaves and grains. It can be used as an ingredient in supplements, beverages, or foods.
• Synonyms: 3,5,7,3',4'-Pentahydroxyflavone
• IUPAC Name: 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
• Canonical SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
• 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
• InChI Key: REFJWTPEDVJJIY-UHFFFAOYSA-N
• Boiling Point: 363.28 °C
• Melting Point: 316.5 °C
• Flash Point: 248.1 °C
• Density: 1.3616 g/cm³
• Solubility: Soluble in alcohol, glacial acetic acid, insoluble in water
• Appearance: Solid
• Storage: Room temperature
• Active Content: 95%
• Complexity: 488
• Exact Mass: 302.04265265
• Hazard Codes: T
• Hazard Statements: T,Xi
• HS Code: 2932999099
• LogP: 1.98800
• MDL Number: MFCD00006828
• Monoisotopic Mass: 302.04265265
• Physical State: Solid
• pKa: 6.31±0.40(Predicted)
• PSA: 131.36
• Refractive Index: 1.4790
• RIDADR: UN 2811
• Safety Description: 45-36-26
• Stability: Stable under normal temperatures and pressures.
• Storage Conditions: Store at 0-5ºC
• Supplemental Hazard Statements: H301
• Symbol: GHS06
• Topological Polar Surface Area: 127 Ų
• Vapor Pressure: 9.03E-16mmHg at 25°C

Custom Q&A

What is the molecular formula of Quercetin?

The molecular formula of Quercetin is C15H10O7.

What is the molecular weight of Quercetin?

The molecular weight of Quercetin is 302.23 g/mol.

What are some synonyms for Quercetin?

Some synonyms for Quercetin include quercetin 117-39-5, Meletin, Sophoretin, and Quercetine.

What is the IUPAC name of Quercetin?

The IUPAC name of Quercetin is 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one.

What is the InChI key of Quercetin?

The InChI key of Quercetin is REFJWTPEDVJJIY-UHFFFAOYSA-N.

What is the canonical SMILES of Quercetin?

The canonical SMILES of Quercetin is C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O.

What is the CAS number of Quercetin?

The CAS number of Quercetin is 117-39-5.

What is the UN number of Quercetin?

The UN number of Quercetin is 2811.

What is the ChEMBL ID of Quercetin?

The ChEMBL ID of Quercetin is CHEMBL50.

What is the Lipid Maps ID of Quercetin?

The Lipid Maps ID of Quercetin is LMPK12110004.

Synthetic Use

Downstream Synthesis Route 1

• 133-89-1
• 117-39-5

• 491-50-9

Reference: [1] Organic Letters, 2014, vol. 16, # 18, p. 4874 - 4877

Downstream Synthesis Route 2

• 117-39-5

• 491-50-9

Reference: [1] Tetrahedron, 2011, vol. 67, # 25, p. 4731 - 4741

Downstream Synthesis Route 3

• 117-39-5

• 528-48-3

Reference: [1] Bioscience, Biotechnology and Biochemistry, 2018, vol. 82, # 8, p. 1316 - 1322

Downstream Synthesis Route 4

• 117-39-5
• 108-24-7

• 1064-06-8

Reference: [1]Kawamura, Tomoyuki; Hayashi, Moemi; Mukai, Rie; Terao, Junji; Nemoto, Hisao
[Synthesis, 2014, vol. 46, # 2, p. 170 - 174]

Downstream Synthesis Route 5

• 117-39-5
• 98-88-4

• 120036-90-0

Reference: [1]Location in patent: experimental part
Mattarei, Andrea; Biasutto, Lucia; Rastrelli, Federico; Garbisa, Spiridione; Marotta, Ester; Zoratti, Mario; Paradisi, Cristina
[Molecules, 2010, vol. 15, # 7, p. 4722 - 4736]
[2]Karimova; Baltina; Spirikhin; Kondratenko; Farkhutdinov; Petrova
[Chemistry of Natural Compounds, 2015, vol. 51, # 5, p. 851 - 855][Khim. Prir. Soedin., 2015, vol. 51, # 5, p. 851 - 855]
[3]Li, Ming; Han, Xiuwen; Yu, Biao
[Journal of Organic Chemistry, 2003, vol. 68, # 17, p. 6842 - 6845]
[4]Wunderlich
[Archiv der Pharmazie, 1908, vol. 246, p. 246]

Downstream Synthesis Route 6

• 117-39-5
• 75-03-6

• 82547-03-3

Reference: [1]Pan, Guojun; Yang, Ke; Ma, Yantao; Zhao, Xia; Lu, Kui; Yu, Peng
[Bulletin of the Korean Chemical Society, 2015, vol. 36, # 5, p. 1460 - 1466]
[2]Lu, Kui; Chu, Jie; Wang, Haomeng; Fu, Xiaoli; Quan, Dewu; Ding, Hongxia; Yao, Qingwei; Yu, Peng
[Tetrahedron Letters, 2013, vol. 54, # 47, p. 6345 - 6348]
[3]Picq; Prigent; Nemoz; Andre; Pacheco
[Journal of Medicinal Chemistry, 1982, vol. 25, # 10, p. 1192 - 1198]
[4]Herzig
[Monatshefte fur Chemie, 1884, vol. 5, p. 75][Monatshefte fuer Chemie, 1888, vol. 9, p. 541]

* For details of the synthesis route, please refer to the original source to ensure accuracy.