(E)-2′-Hydroxychalcone - ≥96% , CAS No.888-12-0

CAS: 888-12-0 Cat. No.: E340666 Formule: C₁₅H₁₂O₂ Poids moléculaire: 224.25

QUALITÉ & PURETÉ ≥96%

Synonyms

BRD-K52053379-001-02-0 | MFCD00016441 | (E)-2'-Hydroxychalcone | SMR000112946 | NCGC00017803-06 | NSC 18939 | H-4450 | NCGC00017803-03 | o-Cinnamoylphenol | PD001173 | 1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one | (E)-1-(2-hydroxyphenyl)-3-phenyl-prop-2-e

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

(E)-2′-Hydroxychalcone is a chalcone derivative. Chalcone derivatives have exhibited unexpectedly good activity as angiogenesis inhibitors. Experimental results indicate that the flavonoids chalcone, 2-hydroxychalcone, and quercetin present in our daily foods have an inhibitory effect on oral carcinogenesis initiated with 4-NQO, and such a modifying effect may be related partly to the suppression of cell proliferation.

Spécifications

Synonymes

BRD-K52053379-001-02-0 | MFCD00016441 | (E)-2'-Hydroxychalcone | SMR000112946 | NCGC00017803-06 | NSC 18939 | H-4450 | NCGC00017803-03 | o-Cinnamoylphenol | PD001173 | 1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one | (E)-1-(2-hydroxyphenyl)-3-phenyl-prop-2-e

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥96%

Noms et identifiants

Pubchem Sid

508817219

Sourires canoniques

C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2O

IUPAC Name

(E)-1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one

InChIKey

AETKQQBRKSELEL-ZHACJKMWSA-N

INCHI

1S/C15H12O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-11,16H/b11-10+

Isomères SMILES

C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2O

Poids moléculaire

224.25

Reaxy-Rn

976324

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=976324&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Linear 1,3-diarylpropanoids
      • Subclass Chalcones and dihydrochalcones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Linear 1,3-diarylpropanoids
• Subclass: Chalcones and dihydrochalcones
• Intermediate Tree Nodes: Not available
• Direct Parent: 2'-Hydroxychalcones
• Alternative Parents: Cinnamylphenols Styrenes Benzoyl derivatives Aryl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Enones Acryloyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2'-hydroxychalcone - Cinnamylphenol - Benzoyl - Aryl ketone - Styrene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Vinylogous acid - Alpha,beta-unsaturated ketone - Enone - Ketone - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2'-hydroxychalcones. These are organic compounds containing chalcone skeleton that carries a hydroxyl group at the 2'-position.
• External Descriptors: phenols - chalcones

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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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in Acetone, Chloroform, Dichloromethane, Ethyl Acetate and Methanol
• Point de fusion (°C): 84-85° C
• Poids moléculaire: 224.250 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 224.084 Da
• Monoisotopic Mass: 224.084 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 277.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1