Asarone - 10mM in DMSO , CAS No.2883-98-9

CAS: 2883-98-9 Cat. No.: A423012 分子式: C₁₂H₁₆O₃ 分子量: 208.25 Beilstein Registry Number: 1910606 EC番号: 220-743-6

GRADE & PURITY 10mM in DMSO

Synonyms

2,5-Trimethoxy-1-propenylbenzene | MEGxp0_001333 | N10790 | Asaron | 1,2,4-Trimethoxy-5-[(1E)-1-propenyl]benzene | alpha -Asarone | ZE-Asarone | C17846 | (E)-1,2,4-TRIMETHOXY-5-(PROP-1-EN-1-YL)BENZENE | ??-Asarone | STL146379 | ASARONE [WHO-DD] | CHEBI:78

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

同義語

2,5-Trimethoxy-1-propenylbenzene | MEGxp0_001333 | N10790 | Asaron | 1,2,4-Trimethoxy-5-[(1E)-1-propenyl]benzene | alpha -Asarone | ZE-Asarone | C17846 | (E)-1,2,4-TRIMETHOXY-5-(PROP-1-EN-1-YL)BENZENE | ??-Asarone | STL146379 | ASARONE [WHO-DD] | CHEBI:78

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

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。

名前と識別子

• パブケム・シド: 528768806
• カノニカル・スマイル: CC=CC1=CC(=C(C=C1OC)OC)OC
• IUPAC Name: 1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene
• InChIKey: RKFAZBXYICVSKP-AATRIKPKSA-N
• INCHI: 1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5+
• 異性体SMILES: C/C=C/C1=CC(=C(C=C1OC)OC)OC
• WGKドイツ: 3
• RTECS: DC2975000
• 分子量: 208.25
• Beilstein: 1910606
• Reaxy-Rn: 2210026
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2210026&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Styrenes Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Methoxybenzene - Styrene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• External Descriptors: asarone

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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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HMGCR Tclin HMG-CoA reductase (2475 Activities)

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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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Homo sapiens (32628 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Burkholderia cepacia (649 Activities)

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Enterobacter cloacae (7976 Activities)

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Micrococcus luteus (7463 Activities)

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Staphylococcus aureus (210822 Activities)

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Staphylococcus epidermidis (22802 Activities)

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Escherichia coli (133304 Activities)

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Aspergillus flavus (8875 Activities)

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Aspergillus niger (16508 Activities)

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Bacillus subtilis (32866 Activities)

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Cutibacterium acnes (887 Activities)

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Pichia kudriavzevii (7448 Activities)

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Candida albicans (78123 Activities)

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Candida parapsilosis (8521 Activities)

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Caenorhabditis elegans (1055 Activities)

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Aedes aegypti (630 Activities)

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Mus musculus (284745 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Aspergillus parasiticus (296 Activities)

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Malassezia furfur (70 Activities)

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Panagrellus redivivus (38 Activities)

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HMGCR 3-hydroxy-3-methylglutaryl-coenzyme A reductase (17 Activities)

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Aspergillus sydowii (55 Activities)

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作用メカニズム

化学的性質と物理的性質

• 沸点（°C）: 296°C
• 融点（°C）: 57-61°C
• 分子量: 208.250 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 208.11 Da
• Monoisotopic Mass: 208.11 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 203.000
• 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. Yan Xiao-dan, Fan Rong-hua, Wang Yu, Duan Xiao-xu, Wei Xuan, Li Lin-sen, Yu Qing.  (2025)  α-asarone activates mitophagy to relieve diabetic encephalopathy via inhibiting apoptosis and oxidative stress.  METABOLIC BRAIN DISEASE,  40  (2): (1-16).  [PMID:39954135] [10.1007/s11011-025-01556-3]

2. Bai Yajun, Zhao Xiaolong, Wang Fei, Liu Dan, Diao Yujie, Sun Ying, Zhao Yingying, Zhang Liyuan, Bai Yujun, Wang Shixiang, Jia Pu, Zhao Ye, Zheng Xiaohui.  (2026)  Lung-Targeted Delivery of Nebulized α-Asaronol Attenuates Airway Inflammation and Hyperresponsiveness in Murine Asthma Models.  ACS Pharmacology & Translational Science,      [PMID:] [10.1021/acsptsci.6c00367]

3. Meiru Han, Guiyang Xia, Qi He, Huan Xia, Xiaohong Wei, Yuzhuo Wu, Sheng Lin.  (2026)  Liquid-Liquid Extraction-assisted Reversed-Phase Preparation Solution Recovery Enhances the Recovery Rate and Stability of Volatile Components.  Separation Science Plus,  9  (8): (e70293).  [PMID:] [10.1002/sscp.70293]