trans-Chalcone - ≥97% , CAS No.614-47-1

CAS: 614-47-1 Cat. No.: I136427 Peso molecular: 208.26 Número EC: 210-383-8

GRADE & PURITY ≥97%

Synonyms

(2E)-1,3-Diphenyl-2-propen-1-one | (E)-Benzylideneacetophenone | .beta.-Phenylacrylophenone | 2-Benzylideneacetophenone | benzylidenacetophenone | Phenyl 2-phenylvinyl ketone | (E)-1,3-DIPHENYL-PROPENONE | (E)-Chalcone | CCRIS 2213 | MLS000069600 | (E)-1,

Storage

Room temperature

Shipped In

Normal

Descripción general

Trans-Chalcone is an open chain flavonoid that inhibits lung and forestomach carcinogenesis.

Specifications

Sinónimos

(2E)-1, 3-Diphenyl-2-propen-1-one | (E)-Benzylideneacetophenone | .beta.-Phenylacrylophenone | 2-Benzylideneacetophenone | benzylidenacetophenone | Phenyl 2-phenylvinyl ketone | (E)-1, 3-DIPHENYL-PROPENONE | (E)-Chalcone | CCRIS 2213 | MLS000069600 | (E)-1,

Especificaciones y pureza

≥97%

Mecanismos bioquímicos y fisiológicos

Trans-Chalcone exhibits antifungal activity against Trichophyton rubrum. It is inhibitor of fatty acid synthase and α-amylase. It induces programmed cell death due to reduced mitochondrial transmembrane potential in Arabidopsis thaliana roots.

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488190857
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190857
• Sonrisas canónicas: C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2
• IUPAC Name: (E)-1,3-diphenylprop-2-en-1-one
• InChIKey: DQFBYFPFKXHELB-VAWYXSNFSA-N
• INCHI: 1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+
• Isómeros SMILES: C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2
• WGK Alemania: 3
• Peso molecular: 208.26
• Reaxy-Rn: 509985
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=509985&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Linear 1,3-diarylpropanoids
• Subclass: Chalcones and dihydrochalcones
• Intermediate Tree Nodes: Not available
• Direct Parent: Retrochalcones
• Alternative Parents: Styrenes Benzoyl derivatives Aryl ketones Enones Acryloyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Retrochalcone - Aryl ketone - Styrene - Benzoyl - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
• External Descriptors: chalcone

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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MAOB Tclin Amine oxidase [flavin-containing] B (1 Activities)

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ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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VDR Tclin Vitamin D receptor (26531 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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MAOB Tclin Monoamine oxidase B (8835 Activities)

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PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

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XDH Tclin Xanthine dehydrogenase (1038 Activities)

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TXNRD1 Tclin Thioredoxin reductase 1 (99 Activities)

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BCHE Tclin Butyrylcholinesterase (7174 Activities)

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AMY2A Tclin Pancreatic alpha-amylase (74 Activities)

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TNFRSF1A Tchem Tumor necrosis factor receptor R1 (157 Activities)

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KCNMA1 Tclin Calcium-activated potassium channel subunit alpha-1 (435 Activities)

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Homo sapiens (32628 Activities)

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A498 (42825 Activities)

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ACHN (49357 Activities)

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BT-20 (503 Activities)

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Caco-2 (12174 Activities)

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CAKI-1 (44928 Activities)

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CCRF-CEM (65223 Activities)

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COLO 205 (50209 Activities)

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DLD-1 (17511 Activities)

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DU-145 (51482 Activities)

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HL-60 (67320 Activities)

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HT-29 (80576 Activities)

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K562 (73714 Activities)

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KM12 (47707 Activities)

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M14 (47487 Activities)

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MCF7 (126967 Activities)

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MOLT-4 (49676 Activities)

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OVCAR-3 (48710 Activities)

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OVCAR-4 (44535 Activities)

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OVCAR-5 (45555 Activities)

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OVCAR-8 (47708 Activities)

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PANC-1 (6144 Activities)

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PC-3 (62116 Activities)

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RPMI-8226 (44974 Activities)

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RXF 393 (41971 Activities)

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SF-295 (48000 Activities)

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SK-MEL-2 (46422 Activities)

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SK-MEL-28 (48833 Activities)

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SK-MEL-5 (47095 Activities)

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SK-OV-3 (52876 Activities)

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SN12C (47755 Activities)

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SNB-19 (46794 Activities)

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TK-10 (45540 Activities)

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U-251 (51189 Activities)

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U2OS (164939 Activities)

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UACC-257 (46019 Activities)

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Objetivos asociados (no humanos)

Cryz Quinone oxidoreductase (288 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Dickeya chrysanthemi (75 Activities)

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Escherichia coli (133304 Activities)

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Streptococcus mutans (2687 Activities)

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Streptococcus pyogenes (16140 Activities)

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Bacillus pumilus (984 Activities)

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Aspergillus niger (16508 Activities)

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Bacillus thuringiensis (718 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Leishmania infantum (5912 Activities)

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Trypanosoma brucei (78846 Activities)

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Entamoeba histolytica (2676 Activities)

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Plasmodium falciparum (966862 Activities)

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Candida albicans (78123 Activities)

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Trichoderma viride (1263 Activities)

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Trichophyton rubrum (3646 Activities)

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Aureobasidium pullulans (46 Activities)

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Leishmania amazonensis (3813 Activities)

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Leishmania braziliensis (1091 Activities)

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Leishmania donovani (89745 Activities)

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Trypanosoma cruzi (99888 Activities)

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Caenorhabditis elegans (1055 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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Talaromyces funiculosus (619 Activities)

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Chaetomium globosum (22 Activities)

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Paecilomyces variotii (130 Activities)

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3T3-L1 (3664 Activities)

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CHO (4503 Activities)

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L1210 (27553 Activities)

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MDCK (10148 Activities)

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P388 (20296 Activities)

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RAW264.7 (28094 Activities)

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NIH3T3 (5395 Activities)

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L929 (3802 Activities)

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Xanthomonas oryzae (286 Activities)

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srtA Sortase A (641 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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PYK Pyruvate kinase (6726 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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Athelia rolfsii (768 Activities)

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Culex quinquefasciatus (137 Activities)

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Kluyveromyces lactis (70 Activities)

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Ogataea angusta (372 Activities)

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Rhizoctonia solani (2251 Activities)

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Blood (6 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Trans chalcone is used to prevent lung and forestomach cancer. It induces programmed cell death due to reduced mitochondrial transmembrane potential in Arabidopsis thaliana roots.
• Punto de ebullición (°C): 208°C/25mmHg
• Punto de fusión (°C): 55-57 °C
• Peso molecular: 208.250 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 208.089 Da
• Monoisotopic Mass: 208.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 242.000
• 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

Referencias

1. Gaowa Jin, Lijie Liu, Yuanliu Yang, Yan Zhang, Ping Zhao, Dongping Yu, Yongzheng Zhou, Zhimou Guo, Hui Wang, Xinmiao Liang.  (2022)  Preparative chromatography behavior of palmitoleic acid on octadecyl stationary phases with different densities.  JOURNAL OF SEPARATION SCIENCE,  45  (11): (1866-1873).  [PMID:35324071] [10.1002/jssc.202101021]