4'-Chloroflavone , CAS No.10420-75-4

CAS: 10420-75-4 Cat. No.: C668083 분자식: C₁₅H₉ClO₂ 분자량: 256.68 PubChem CID: 151515

Synonyms

4'-Chloroflavone | 2-(4-chlorophenyl)chromen-4-one | 2-(4-chlorophenyl)-4H-chromen-4-one | 4H-1-Benzopyran-4-one, 2-(4-chlorophenyl)- | 4/'-Chloroflavone | 4l0v | Maybridge3_004556 | DTXSID90146345 | BDBM150757 | HMS1443P02 | 2-(4-chlorophenyl)-chromen-4-

Storage

Room temperature

Specifications

동의어

4'-Chloroflavone | 2-(4-chlorophenyl)chromen-4-one | 2-(4-chlorophenyl)-4H-chromen-4-one | 4H-1-Benzopyran-4-one, 2-(4-chlorophenyl)- | 4/'-Chloroflavone | 4l0v | Maybridge3_004556 | DTXSID90146345 | BDBM150757 | HMS1443P02 | 2-(4-chlorophenyl)-chromen-4-

보관 조건

Room temperature

제품 특성

• ALogP: 4.2

이름과 식별자

• 정식 스마일: C1=CC=C2C(=C1)C(=O)C=C(O2)C3=CC=C(C=C3)Cl
• IUPAC Name: 2-(4-chlorophenyl)chromen-4-one
• InChIKey: BUEVXCMRYKDSMY-UHFFFAOYSA-N
• INCHI: 1S/C15H9ClO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H
• 이성체 SMILES: C1=CC=C2C(=C1)C(=O)C=C(O2)C3=CC=C(C=C3)Cl
• PubChem CID: 151515
• 분자량: 256.68

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: Flavones
• Alternative Parents: Chromones Pyranones and derivatives Chlorobenzenes Aryl chlorides Heteroaromatic compounds Oxacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flavone - Chromone - Benzopyran - 1-benzopyran - Chlorobenzene - Pyranone - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as flavones. These are flavonoids with a structure based on the backbone of 2-phenylchromen-4-one (2-phenyl-1-benzopyran-4-one).
• 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)

TNKS Tchem Tankyrase-1 (2 Activities)

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PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

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HT-29 (80576 Activities)

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MCF7 (126967 Activities)

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MOLT-4 (49676 Activities)

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TK-10 (45540 Activities)

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HepG2 (196354 Activities)

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TNKS Tchem Tankyrase-1 (1241 Activities)

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관련 대상(비인간)

NA Neuraminidase (1107 Activities)

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Influenza A virus (11224 Activities)

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MDCK (10148 Activities)

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RAW264.7 (28094 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 분자량: 256.680 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 256.029 Da
• Monoisotopic Mass: 256.029 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 356.000
• 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

자주 묻는 질문

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 10420-75-4, the molecular formula is C15H9ClO2, and the molecular weight is 256.68 g/mol. InChIKey BUEVXCMRYKDSMY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.