3-Hydroxy-4'-methoxyflavone - 10mM in DMSO , CAS No.6889-78-7

CAS: 6889-78-7 Cat. No.: H425526 分子式: C₁₆H₁₂O₄ 分子量: 268.27 EC番号: 677-019-1

GRADE & PURITY 10mM in DMSO

Synonyms

328R9ELU9F | 3-hydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one | NCGC00142582-01 | UNII-328R9ELU9F | 2-(4-Methoxyphenyl)-3-hydroxyflavone | 5-bromo-2,3-dihydro-1H-1,3-benzodiazol-2-one | Q63408844 | ST066904 | 3-hydroxy-2-(4-methoxyphenyl)-chromen-4-one | 3-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

同義語

328R9ELU9F | 3-hydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one | NCGC00142582-01 | UNII-328R9ELU9F | 2-(4-Methoxyphenyl)-3-hydroxyflavone | 5-bromo-2,3-dihydro-1H-1,3-benzodiazol-2-one | Q63408844 | ST066904 | 3-hydroxy-2-(4-methoxyphenyl)-chromen-4-one | 3-

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

• パブケム・シド: 528759192
• カノニカル・スマイル: COC1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)O
• IUPAC Name: 3-hydroxy-2-(4-methoxyphenyl)chromen-4-one
• InChIKey: IIBBFGMVMNZMGA-UHFFFAOYSA-N
• INCHI: 1S/C16H12O4/c1-19-11-8-6-10(7-9-11)16-15(18)14(17)12-4-2-3-5-13(12)20-16/h2-9,18H,1H3
• 異性体SMILES: COC1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)O
• 分子量: 268.27
• Reaxy-Rn: 251466
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=251466&ln=

Taxonomic Classification

Taxonomy Tree

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

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

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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HCT-116 (91556 Activities)

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Discover Target: ABCG2

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

Discover Target: KDM4E

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関連ターゲット（非人間）

L1210 (27553 Activities)

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Aorta (2975 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 234 °C
• 分子量: 268.260 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 268.074 Da
• Monoisotopic Mass: 268.074 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 407.000
• 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

参考文献

1. Yanglin Jiang, Qizheng Zhang, Xunwu Hu, Ting Liang, Ailin Sun, Chenjie Xu, Peng Wang, Ye Zhang.  (2025)  Fluorogenic Crystallization via Enzyme-Instructed Excited-State Intramolecular Proton Transfer for Dynamic Microenvironment Profiling.  ACS Sensors,      [PMID:40052415] [10.1021/acssensors.4c03641]