2-methoxycinnamaldehyde - ≥98% , CAS No.1504-74-1

CAS: 1504-74-1 Cat. No.: M414411 Peso molecular: 162.19 Número EC: 216-131-3

GRADE & PURITY ≥98%

Synonyms

O-METHOXYCINNAMALDEHYDE | O-Methoxy-Cinnamaldehyde | (E)-3-(2-methoxyphenyl)prop-2-enal | 2-Methoxycimnamaldehyde | 3-(2-Methoxyphenyl)-(2E)-2-propenal | A869043 | O-Methoxyphenyl acrolein, beta- | 2'-METHOXYCINNAMALDEHYDE (CONSTITUENT OF CINNAMOMUM CASSI

Storage

Room temperature

Descripción general

Information

2-methoxycinnamaldehyde (O-methoxycinnamaldehyde), found in ceylan cinnamon, is a flavouring ingredient.

Specifications

Sinónimos

O-METHOXYCINNAMALDEHYDE | O-Methoxy-Cinnamaldehyde | (E)-3-(2-methoxyphenyl)prop-2-enal | 2-Methoxycimnamaldehyde | 3-(2-Methoxyphenyl)-(2E)-2-propenal | A869043 | O-Methoxyphenyl acrolein, beta- | 2'-METHOXYCINNAMALDEHYDE (CONSTITUENT OF CINNAMOMUM CASSI

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

2-Methoxycinnamaldehyde (o-Methoxycinnamaldehyde) is a natural compound of Cinnamomum cassia, with antitumor activity. 2-Methoxycinnamaldehyde inhibits proliferation and induces apoptosis by mitochondrial membrane potential (ΔΨm) loss, activation of both

Condiciones de almacenamiento de almacenamiento

Room temperature

Tipo de acción

ACTIVATOR

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488190920
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190920
• Sonrisas canónicas: COC1=CC=CC=C1C=CC=O
• IUPAC Name: (E)-3-(2-methoxyphenyl)prop-2-enal
• InChIKey: KKVZAVRSVHUSPL-GQCTYLIASA-N
• INCHI: 1S/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3/b6-4+
• Isómeros SMILES: COC1=CC=CC=C1/C=C/C=O
• Peso molecular: 162.19
• Reaxy-Rn: 2436856
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2436856&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Cinnamaldehydes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Cinnamaldehydes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamaldehydes
• Alternative Parents: Styrenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Enals Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamaldehyde - Phenoxy compound - Anisole - Methoxybenzene - Styrene - Phenol ether - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated aldehyde - Enal - Ether - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cinnamaldehydes. These are organic aromatic compounds containing a cinnamlaldehyde moiety, consisting of a benzene and an aldehyde group to form 3-phenylprop-2-enal.
• 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)

TYR Tclin Tyrosinase (717 Activities)

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

XDH Tclin Xanthine dehydrogenase (1038 Activities)

Discover Target: XDH

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HEK293 (82097 Activities)

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Objetivos asociados (no humanos)

Gallus gallus (1187 Activities)

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RAW264.7 (28094 Activities)

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Nfatc1 Nuclear factor of activated T-cells, cytoplasmic 1 (5 Activities)

Discover Target: Nfatc1

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Abutilon theophrasti (831 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de ebullición (°C): 160-161 °C/12 mmHg (lit.)
• Punto de fusión (°C): 44.0-49.0 °C (lit.)
• Peso molecular: 162.180 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 162.068 Da
• Monoisotopic Mass: 162.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 163.000
• 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. Zhenhao Li, Shun Xiao, Ni Ai, Kedi Luo, Xiaohui Fan, Yiyu Cheng.  (2014)  Derivative multiple reaction monitoring and single herb calibration approach for multiple components quantification of traditional Chinese medicine analogous formulae.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:25541090] [10.1016/j.chroma.2014.12.024]