2',4',6'-Trihydroxy-2-phenylacetophenone - ≥96% , CAS No.727-71-9

CAS: 727-71-9 Cat. No.: T162163 Formule: C₁₄H₁₂O₄ Poids moléculaire: 244.25 Numéro 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

Room temperature,Argon charged

Shipped In

Normal

Vue d’ensemble

2-Phenyl-2′,4′,6′-trihydroxyacetophenone can undergo reaction with citral to give the corresponding polycycle containing a citran and cyclol nucleus, which may possess biological and pharmaceutical properties.

Specifications

Synonymes

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

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥96%

Noms et identifiants

• Sourires canoniques: 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
• Isomères SMILES: C1=CC=C(C=C1)CC(=O)C2=C(C=C(C=C2O)O)O
• WGK Allemagne: 3
• PubChem CID: 689111
• Poids moléculaire: 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
• Description: 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

Cibles associées (humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in Methanol
• Sensibilité: Air Sensitive
• Point de fusion (°C): 161-165℃
• Poids moléculaire: 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