Quercetin dihydrate - analytical standard, ≥98%(HPLC) , CAS No.6151-25-3

CAS: 6151-25-3 Cat. No.: Q118458 Peso molecular: 338.27 Beilstein Registry Number: 317313 Número EC: 612-158-3 PubChem CID: 5284452

GRADE & PURITY Analytical standard, ≥98%(HPLC)

Synonyms

BMK1-G2 | Quercetin dihydrate | Quercetin dihydrate - Sophoretin | BCP07318 | Quercetine dihydrate | CCRIS 3304 | Quercetin dihydrate (Sophoretin) | HMS2096F15 | QUERCETIN DIHYDRATE [WHO-DD] | s2347 | 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyr

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Sinónimos

BMK1-G2 | Quercetin dihydrate | Quercetin dihydrate - Sophoretin | BCP07318 | Quercetine dihydrate | CCRIS 3304 | Quercetin dihydrate (Sophoretin) | HMS2096F15 | QUERCETIN DIHYDRATE [WHO-DD] | s2347 | 2-(3, 4-Dihydroxyphenyl)-3, 5, 7-trihydroxy-4H-1-benzopyr

Especificaciones y pureza

analytical standard, ≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature

Enviado en

Normal

Grado

Analytical standard

Pureza

≥98%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O.O.O
• IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;dihydrate
• InChIKey: GMGIWEZSKCNYSW-UHFFFAOYSA-N
• INCHI: 1S/C15H10O7.2H2O/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;2*1H2
• Isómeros SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O.O.O
• WGK Alemania: 3
• RTECS: LK8950000
• CAS alternativo: 849061-97-8
• PubChem CID: 5284452
• Número ONU: 2811
• Peso molecular: 338.27
• Beilstein: 317313

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Flavonoids
      • Subclass Flavones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Flavonoids
• Subclass: Flavones
• Intermediate Tree Nodes: Not available
• Direct Parent: Flavonols
• Alternative Parents: 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Chromones Catechols 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids Benzene and substituted derivatives Vinylogous acids Heteroaromatic compounds Oxacyclic compounds Polyols Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-hydroxyflavone - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Chromone - Benzopyran - 1-benzopyran - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Benzenoid - Monocyclic benzene moiety - Pyran - Heteroaromatic compound - Vinylogous acid - Oxacycle - Organoheterocyclic compound - Polyol - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as flavonols. These are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

CYP1A2 Tchem Cytochrome P450 1A2 (1 Activities)

Discover Target: CYP1A2

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CYP2C9 Tchem Cytochrome P450 2C9 (1 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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HEK293 (82097 Activities)

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HIF1A Tchem Hypoxia-inducible factor 1 alpha (6027 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

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G6PD Tchem Glucose-6-phosphate 1-dehydrogenase (778 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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USP2 Tbio Ubiquitin carboxyl-terminal hydrolase 2 (8818 Activities)

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RECQL Tbio ATP-dependent DNA helicase Q1 (5575 Activities)

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

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Objetivos asociados (no humanos)

Cruzipain (33337 Activities)

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Galc Galactocerebrosidase (11 Activities)

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Trypanosoma brucei brucei (13300 Activities)

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lef Anthrax lethal factor (7585 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light sensitive.
• Punto de fusión (°C): >300°C
• Peso molecular: 338.270 g/mol
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 1
• Exact Mass: 338.064 Da
• Monoisotopic Mass: 338.064 Da
• Topological Polar Surface Area: 129.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 488.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3

Referencias

1. Siyu Gui, Weiwei Tang, Zhihao Huang, Xinchen Wang, Siyin Gui, Xiang Gao, Duncheng Xiao, Liming Tao, Zhengxuan Jiang, Xianwen Wang.  (2023)  Ultrasmall Coordination Polymer Nanodots Fe-Quer Nanozymes for Preventing and Delaying the Development and Progression of Diabetic Retinopathy.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202300261]

2. Do Hee Kim, Eun Woo Jeong, Youjin Baek, Hyeon Gyu Lee.  (2023)  Development of propolis extract-loaded nanoparticles with chitosan and hyaluronic acid for improving solubility and stability.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2023.114738]

3. Jinhao Zhao, Minmin Liang, Zhongyan Wang, Yanyan Zhao, Jingli Cheng, Yongjun Du.  (2022)  Evaluation and optimization of blends for attracting Trichogramma dendrolimi based on semiochemicals mediating tritrophic interactions in the orchard habitat.  BIOLOGICAL CONTROL,      [PMID:] [10.1016/j.biocontrol.2022.104998]

4. Jian-Feng Zhou, Wen-Jun Wang, Zhong-Ping Yin, Guo-Dong Zheng, Ji-Guang Chen, Jing-En Li, Ling-Li Chen, Qing-Feng Zhang.  (2021)  Quercetin is a promising pancreatic lipase inhibitor in reducing fat absorption in vivo.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2021.101248]

5. Chang Ping Yang, Li He, Cheng Zhi Huang, Yuan Fang Li, Shu Jun Zhen.  (2020)  Continuous singlet oxygen generation for persistent chemiluminescence in Cu-MOFs-based catalytic system.  TALANTA,      [PMID:33076101] [10.1016/j.talanta.2020.121498]

6. Xu Lujing, Shu Tong, Liu Songbai.  (2019)  Simplified Quantification of Representative Bioactives in Food Through TLC Image Analysis.  Food Analytical Methods,  12  (12): (2886-2894).  [PMID:] [10.1007/s12161-019-01645-x]

7. Xu Ma, Hong Su, Yongming Liu, Fenghua Chen, Rongrong Xue.  (2025)  Superior solubility of anhydrous quercetin and polymer physical mixtures compared to amorphous solid dispersions.  RSC Advances,  15  (12): (9348-9358).  [PMID:40151530] [10.1039/D4RA08796H]

8. Zhou Jian-Feng, Xu Hai-Xia, Yin Zhong-Ping, Chen Ji-Guang, Zhang Qing-Feng.  (2024)  The combination effects of quercetin on starch and digestive enzymes reduce postprandial blood glucose in rats.  EUROPEAN FOOD RESEARCH AND TECHNOLOGY,      [PMID:] [10.1007/s00217-023-04455-y]

9. Lei Wang, Sipeng Yu, Ju Wang, Qiuping Wang, Yu Mao, Lei Zheng.  (2025)  Manganese-doped carbon nanospheres with robust peroxidase-like activity for the colorimetric detection of total antioxidant capacity.  FOOD CHEMISTRY,      [PMID:40252442] [10.1016/j.foodchem.2025.144349]

10. Kaiqiang Yang, Junlei Liu, Yiming Yang, Wenying Li.  (2026)  Engineering the Microenvironment of Cu-MOF Nanozyme via Modulating Ligand Hydrophobicity for Array-Based Profiling of Phenolic Acids in Natural Products.  TALANTA,      [PMID:41519042] [10.1016/j.talanta.2026.129350]