(E)-2'-Hidroxi-3,4-dimetoxicalcona - ≥98% , CAS No.79140-20-8

CAS: 79140-20-8 Cat. No.: E404548 Fórmula: C₁₇H₁₆O₄ Peso molecular: 284.31 Número EC: 878-651-2

CALIDAD & PUREZA ≥98%

Synonyms

2'-hydroxy-3,4-dimethoxychalcone | 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one | MFLSRHQHCDTOGH-VQHVLOKHSA-N | AKOS005177164 | C73661 | (2E)-3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one | Chalcone, 9 | TS-01021 | 3,4-Dimethoxy

Storage

Protegido de la luz,Almacenar a -20°C,Cargado con argón

Shipped In

Hielera + almohadillas de hielo

Descripción general

Longitud de onda de absorción máxima:350(THF)nm

Especificaciones

Sinónimos

2'-hydroxy-3,4-dimethoxychalcone | 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one | MFLSRHQHCDTOGH-VQHVLOKHSA-N | AKOS005177164 | C73661 | (2E)-3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one | Chalcone, 9 | TS-01021 | 3,4-Dimethoxy

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protegido de la luz,Almacenar a -20°C,Cargado con argón

Enviado en

Hielera + almohadillas de hielo

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

508806601

Sonrisas canónicas

COC1=C(C=C(C=C1)C=CC(=O)C2=CC=CC=C2O)OC

IUPAC Name

(E)-3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one

InChIKey

MFLSRHQHCDTOGH-VQHVLOKHSA-N

INCHI

1S/C17H16O4/c1-20-16-10-8-12(11-17(16)21-2)7-9-15(19)13-5-3-4-6-14(13)18/h3-11,18H,1-2H3/b9-7+

Isómeros SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=CC=C2O)OC

CAS alternativo

19152-36-4

Peso molecular

284.31

Reaxy-Rn

1317609

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1317609&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: 2'-Hydroxychalcones
• Alternative Parents: Cinnamylphenols Cinnamic acids and derivatives Dimethoxybenzenes Anisoles Aryl ketones Benzoyl derivatives Styrenes Phenoxy compounds 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Acryloyl compounds Enones Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2'-hydroxychalcone - Cinnamylphenol - Cinnamic acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Methoxybenzene - Benzoyl - Phenoxy compound - Phenol ether - Styrene - Aryl ketone - Alkyl aryl ether - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Enone - Acryloyl-group - Alpha,beta-unsaturated ketone - Ketone - Ether - Organic oxide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: 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: 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

Objetivos asociados (humanos)

HT-29 (80576 Activities)

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MCF7 (126967 Activities)

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TK-10 (45540 Activities)

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Objetivos asociados (no humanos)

Abcc1 Multidrug resistance-associated protein 1 (42 Activities)

Discover Target: Abcc1

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Abcb1b P-glycoprotein 1 (174 Activities)

Discover Target: Abcb1b

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Staphylococcus aureus (210822 Activities)

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Rattus norvegicus (775804 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Dimethylformamide
• Sensibilidad: Air and light sensitive
• Punto de fusión (°C): 115 °C
• Peso molecular: 284.310 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 284.105 Da
• Monoisotopic Mass: 284.105 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 366.000
• 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