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

CAS: 458-36-6 Cat. No.: H473328 분자식: C₁₀H₁₀O₃ 분자량: 178.18 EC 번호: 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

개요

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

동의어

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

사양 및 순도

≥98%

보관 조건

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

배송

Wet ice

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순수함

≥98%

이름과 식별자

• Pubchem Sid: 508809730
• 정식 스마일: 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+
• 이성체 SMILES: COC1=C(C=CC(=C1)/C=C/C=O)O
• 분자량: 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
    • 분류 Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(인간)

TYR Tclin Tyrosinase (717 Activities)

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XDH Tclin Xanthine dehydrogenase (1038 Activities)

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HT-1080 (3966 Activities)

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LoVo (4724 Activities)

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MCF7 (126967 Activities)

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PC-3 (62116 Activities)

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SK-MEL-2 (46422 Activities)

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SK-MEL-28 (48833 Activities)

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SK-N-SH (1499 Activities)

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SK-OV-3 (52876 Activities)

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XF498 (12972 Activities)

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A549 (127892 Activities)

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NCI-H460 (60772 Activities)

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L132 (227 Activities)

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HeLa (62764 Activities)

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관련 대상(비인간)

Mycobacterium tuberculosis (203094 Activities)

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Locusta migratoria (14 Activities)

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Mus musculus (284745 Activities)

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MEF (1005 Activities)

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RAW264.7 (28094 Activities)

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Heliothis virescens (272 Activities)

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Fusarium verticillioides (912 Activities)

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Hsf1 Heat shock factor protein 1 (5445 Activities)

Discover Target: Hsf1

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Fusarium incarnatum (10 Activities)

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Spodoptera exigua (540 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 감도: Air Sensitive，Light Sensitive
• 끓는점(°C): 175 °C/5 mmHg
• 녹는점(°C): 80-82℃
• 분자량: 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

참고 문헌

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]