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

CAS: 6151-25-3 Cat. No.: Q118458 분자식: C₁₅H₁₀O₇·2H₂O 분자량: 338.27 Beilstein Registry Number: 317313 EC 번호: 612-158-3 PubChem CID: 5284452

GRADE & PURITY Analytical standard, Moligand™, ≥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

동의어

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

사양 및 순도

Analytical standard, Moligand™, ≥98%(HPLC)

보관 조건

Protected from light,Room temperature

배송

Normal

등급

Moligand™, 분석 표준물질

작업 유형

INHIBITOR

순수함

≥98%(HPLC)

이름과 식별자

• Pubchem Sid: 528772274
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528772274
• 정식 스마일: 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
• 이성체 SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O.O.O
• WGK 독일: 3
• RTECS: LK8950000
• 대체 CAS: 849061-97-8
• PubChem CID: 5284452
• UN 번호: 2811
• 분자량: 338.27
• Beilstein: 317313

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: 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
• 설명: 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

관련 대상(인간)

CYP1A2 Tchem Cytochrome P450 1A2 (1 Activities)

Discover Target: CYP1A2

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

CYP2C9 Tchem Cytochrome P450 2C9 (1 Activities)

Discover Target: CYP2C9

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

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

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

Discover Target: ALOX15B

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

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

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

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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

HEK293 (82097 Activities)

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

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

Discover Target: HIF1A

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

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

Discover Target: HSD17B10

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

POLK Tbio DNA polymerase kappa (8653 Activities)

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

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

Discover Target: G6PD

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

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

Discover Target: APEX1

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

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

Discover Target: EHMT2

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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

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

Discover Target: KDM4E

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

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

Discover Target: USP2

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

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

Discover Target: RECQL

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

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

Discover Target: USP1

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

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

Discover Target: MEN1

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

관련 대상(비인간)

Cruzipain (33337 Activities)

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

Galc Galactocerebrosidase (11 Activities)

Discover Target: Galc

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

Trypanosoma brucei brucei (13300 Activities)

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

lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

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

Luciferin 4-monooxygenase (66902 Activities)

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

ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

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

작용 메커니즘

화학 및 물리적 특성

• 감도: Light sensitive.
• 녹는점(°C): >300°C
• 분자량: 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

참고 문헌

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]