4′-O-Methyl Quercetin - ≥98% , CAS No.603-61-2

CAS: 603-61-2 Cat. No.: O340142 Molecular Weight: 316.26 EC Number: 210-050-7

GRADE & PURITY ≥98%

Synonyms

Quercetin, 4'-methyl ether | Quercetin-4'-methylether | 3,3,5,7-tetrahydroxy-4-methoxyflavone | 4'-methoxy-3,5,7,3'-tetrahydroflavone | 3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone | HY-N1181 | 4'-O-Methylquercetin | FLAVONE, 4'-METHOXY-3,

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product Describtion:

4'-O-Methyl Quercetin is a major metabolite of the flavanoid Quercetin with antioxidant properties. . It helps to protect H9c2 cardiomyoblasts against H2O2-induced oxidative stress via the modulation of PI3K/Akt and ERK1/2 signaling pathways.Tamarixetin (4'-O-Methyl Quercetin) is a natural flavonoid derivative of quercetin, with anti-oxidative and anti-inflammatory effects. Tamarixetin protects against cardiac hypertrophy .

Specifications

Synonyms

Quercetin, 4'-methyl ether | Quercetin-4'-methylether | 3, 3, 5, 7-tetrahydroxy-4-methoxyflavone | 4'-methoxy-3, 5, 7, 3'-tetrahydroflavone | 3, 5, 7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone | HY-N1181 | 4'-O-Methylquercetin | FLAVONE, 4'-METHOXY-3,

Specifications & Purity

≥98%

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504763379
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763379
• Canonical Smiles: COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
• IUPAC Name: 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
• InChIKey: FPLMIPQZHHQWHN-UHFFFAOYSA-N
• INCHI: 1S/C16H12O7/c1-22-11-3-2-7(4-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3
• Isomeric SMILES: COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
• UN Number: 2811
• Packing Group: III
• Molecular Weight: 316.26
• Reaxy-Rn: 324993
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=324993&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Flavonoids
• Subclass: Flavones
• Intermediate Tree Nodes: Not available
• Direct Parent: Flavonols
• Alternative Parents: 4'-O-methylated flavonoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Chromones Methoxyphenols Phenoxy compounds Methoxybenzenes Anisoles 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Vinylogous acids Heteroaromatic compounds Oxacyclic compounds Polyols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4p-methoxyflavonoid-skeleton - 3-hydroxyflavone - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Chromone - Benzopyran - 1-benzopyran - Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Pyranone - Phenol - Benzenoid - Monocyclic benzene moiety - Pyran - Vinylogous acid - Heteroaromatic compound - Ether - Organoheterocyclic compound - Oxacycle - Polyol - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: 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: Flavones and Flavonols

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

Associated Targets(Human)

CYP1B1 Tchem Cytochrome P450 1B1 (1 Activities)

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CYP1A1 Tchem Cytochrome P450 1A1 (1 Activities)

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

F2 Tclin Thrombin (11687 Activities)

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ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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DHODH Tclin Dihydroorotate dehydrogenase (2737 Activities)

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

CYP1B1 Tchem Cytochrome P450 1B1 (1148 Activities)

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

CYP1A1 Tchem Cytochrome P450 1A1 (1169 Activities)

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

MAPK3 Tchem MAP kinase ERK1 (4725 Activities)

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MAPK8 Tchem c-Jun N-terminal kinase 1 (5038 Activities)

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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M14 (47487 Activities)

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A549 (127892 Activities)

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NCI-H157 (619 Activities)

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HepG2 (196354 Activities)

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Monocyte (474 Activities)

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HOP-62 (47048 Activities)

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HeLa (62764 Activities)

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NCI-H522 (44358 Activities)

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TLR4 Tchem Toll-like receptor 4 (970 Activities)

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HSPB1 Tchem Heat shock protein beta-1 (172 Activities)

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NCI-H1792 (313 Activities)

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MAPK13 Tchem MAP kinase p38 (1586 Activities)

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NFKB2 Tchem Nuclear factor NF-kappa-B complex (2307 Activities)

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HEK-293T (167025 Activities)

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Associated Targets(non-human)

Staphylococcus aureus (210822 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Plasmodium falciparum (966862 Activities)

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Leishmania donovani (89745 Activities)

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Trypanosoma cruzi (99888 Activities)

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Mus musculus (284745 Activities)

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Trypanosoma brucei rhodesiense (7991 Activities)

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Vero (26788 Activities)

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Avian myoblastosis virus polyprotein II (68 Activities)

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BCHE Cholinesterase (8742 Activities)

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DHODH Dihydroorotate dehydrogenase (fumarate) (195 Activities)

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B16-F0 (142 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: light sensitive
• Melt Point(°C): >250° C (dec.)
• Molecular Weight: 316.260 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 316.058 Da
• Monoisotopic Mass: 316.058 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 503.000
• 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: 1