2',4',6'-Tri-hidroxi-2-fenilacetofenona - ≥96% , CAS No.727-71-9

CAS: 727-71-9 Cat. No.: T162163 Fórmula: C₁₄H₁₂O₄ Peso molecular: 244.25 Número CE: 622-088-5 PubChem CID: 689111

GRADE & PURITY ≥96%

Synonyms

BS-52942 | 2-phenyl-1-(2,4,6-trihydroxyphenyl)ethanone | 2-Phenyl-2',4',6'-trihydroxyacetophenone | T72882 | 1-(2,4,6-TRIHYDROXYPHENYL)-2-PHENYLETHANONE | FT-0632882 | 2,4,6-trihydroxyphenyl benzyl ketone | Benzyl 2,4,6-Trihydroxyphenyl Ketone | Oprea1_83

Storage

Argon charged,Room temperature

Shipped In

Normal

Visão geral

a 2-fenil-2′,4′,6′-tri-hidroxiacetofenona pode sofrer uma reação com citral para dar o policiclo correspondente que contém um núcleo de citrino e um núcleo de ciclol, que pode possuir propriedades biológicas e farmacêuticas.

Specifications

Sinónimos

BS-52942 | 2-phenyl-1-(2,4,6-trihydroxyphenyl)ethanone | 2-Phenyl-2',4',6'-trihydroxyacetophenone | T72882 | 1-(2,4,6-TRIHYDROXYPHENYL)-2-PHENYLETHANONE | FT-0632882 | 2,4,6-trihydroxyphenyl benzyl ketone | Benzyl 2,4,6-Trihydroxyphenyl Ketone | Oprea1_83

Especificações e pureza

≥96%

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥96%

Nomes e identificadores

• Sorrisos canónicos: C1=CC=C(C=C1)CC(=O)C2=C(C=C(C=C2O)O)O
• IUPAC Name: 2-phenyl-1-(2,4,6-trihydroxyphenyl)ethanone
• InChIKey: SLHBRIIHMDJIBT-UHFFFAOYSA-N
• INCHI: 1S/C14H12O4/c15-10-7-12(17)14(13(18)8-10)11(16)6-9-4-2-1-3-5-9/h1-5,7-8,15,17-18H,6H2
• SMILES isoméricas: C1=CC=C(C=C1)CC(=O)C2=C(C=C(C=C2O)O)O
• WGK Alemanha: 3
• PubChem CID: 689111
• Peso molecular: 244.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Alkyl-phenylketones Acylphloroglucinols and derivatives Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Polyols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Alkyl-phenylketone - Acylphloroglucinol derivative - Benzenetriol - Phenylketone - Phloroglucinol derivative - Benzoyl - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Ketone - Polyol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

Alvos associados (humanos)

APP Tclin Amyloid-beta A4 protein (8510 Activities)

Discover Target: APP

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in Methanol
• Sensibilidade: Air Sensitive
• Ponto de fusão (°C): 161-165℃
• Peso molecular: 244.240 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 244.074 Da
• Monoisotopic Mass: 244.074 Da
• Topological Polar Surface Area: 77.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 274.000
• 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