4-Hydroxy-3-methoxycinnamaldehyde - ≥98% , CAS No.458-36-6

CAS: 458-36-6 Cat. No.: H473328 分子式: C₁₀H₁₀O₃ 分子量: 178.18 EC番号: 207-278-4

GRADE & PURITY ≥98%

Synonyms

bmse010076 | SCHEMBL167835 | STR05037 | STL479559 | 5DF06912-B0DD-4C76-B493-29D29F746430 | (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enal | (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal | 2-Propenal, 3-(4-hydroxy-3-methoxyphenyl)-, (2E)- | AKOS015916118 | C

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

概要

4-Hydroxy-3-methoxycinnamaldehyde is an isoflavonoid. It has been isolated from the insecticidally active hot dichloromethane extract of heartwood ofGliricidia sepium, seed kernels ofMelia azedarachL and barks ofCinnamomum cebuense.4-Hydroxy-3-methoxycinnamaldehyde is suitable for use in a study to investigate the antioxidant and antiradical activities of ferulates using a β-carotene-linoleate model system and a DPPH radical scavenging assay, respectively.

Coniferaldehyde (Ferulaldehyde) is an effective inducer of heme oxygenase-1 (HO-1) and has anti-inflammatory effects. In RAW264.7 macrophages, Coniferaldehyde inhibited LPS-induced apoptosis through a PKCα/βII/Nrf-2/HO-1 dependent pathway

Specifications

同義語

bmse010076 | SCHEMBL167835 | STR05037 | STL479559 | 5DF06912-B0DD-4C76-B493-29D29F746430 | (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enal | (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal | 2-Propenal, 3-(4-hydroxy-3-methoxyphenyl)-, (2E)- | AKOS015916118 | C

仕様と純度

≥98%

保管条件

Store at 2-8°C,Protected from light,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

• パブケム・シド: 508809730
• カノニカル・スマイル: COC1=C(C=CC(=C1)C=CC=O)O
• IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
• InChIKey: DKZBBWMURDFHNE-NSCUHMNNSA-N
• INCHI: 1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+
• 異性体SMILES: COC1=C(C=CC(=C1)/C=C/C=O)O
• 分子量: 178.18
• Reaxy-Rn: 2048207
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2048207&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Cinnamaldehydes Styrenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Enals Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamaldehyde - Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Styrene - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Enal - Alpha,beta-unsaturated aldehyde - Ether - Hydrocarbon derivative - Carbonyl group - Aldehyde - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• External Descriptors: Coniferyl alcohol derivatives

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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作用メカニズム

化学的性質と物理的性質

• 感度: Air Sensitive，Light Sensitive
• 沸点（°C）: 175 °C/5 mmHg
• 融点（°C）: 80-82℃
• 分子量: 178.180 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 178.063 Da
• Monoisotopic Mass: 178.063 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 189.000
• 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

参考文献

1. Peng-Cheng Chen, Hui Zhang, Pu Zheng.  (2018)  Direct biodegradation of eugenol to coniferyl aldehyde and other higher value-added products by Gibberella fujikuroi ZH-34.  ELECTRONIC JOURNAL OF BIOTECHNOLOGY,      [PMID:] [10.1016/j.ejbt.2018.12.001]