Methyleugenol - 10mM in DMSO , CAS No.93-15-2

CAS: 93-15-2 Cat. No.: M426975 Peso molecular: 178.23 Beilstein Registry Number: 1910871 Número EC: 202-223-0

GRADE & PURITY 10mM in DMSO

Synonyms

1-(3,4-Dimethoxyphenyl)-2-propene | 1,2-Dimethoxy-4-allyl benzene | 1,2-dimethoxy-4-prop-2-enylbenzene | Benzene, 1,2-dimethoxy-4-(2-propen-1-yl)- | Eugenol methyl | Methyleugenol,(S) | SMR000112378 | UNII-29T9VA6R7M | BDBM50379791 | DTXSID5025607 | EN300

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

4-Allyl-1,2-dimethoxybenzene was identified and quantified using automated headspace solid-phase microextraction coupled with GC/MS/MS.

Specifications

Sinónimos

1-(3, 4-Dimethoxyphenyl)-2-propene | 1, 2-Dimethoxy-4-allyl benzene | 1, 2-dimethoxy-4-prop-2-enylbenzene | Benzene, 1, 2-dimethoxy-4-(2-propen-1-yl)- | Eugenol methyl | Methyleugenol, (S) | SMR000112378 | UNII-29T9VA6R7M | BDBM50379791 | DTXSID5025607 | EN300

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: COC1=C(C=C(C=C1)CC=C)OC
• IUPAC Name: 1,2-dimethoxy-4-prop-2-enylbenzene
• InChIKey: ZYEMGPIYFIJGTP-UHFFFAOYSA-N
• INCHI: 1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3
• Isómeros SMILES: COC1=C(C=C(C=C1)CC=C)OC
• WGK Alemania: 1
• RTECS: CY2450000
• Número ONU: 2810
• Grupo de embalaje: I
• Peso molecular: 178.23
• Beilstein: 1910871
• Reaxy-Rn: 1910871
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1910871&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenoxy compounds Anisoles Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Phenol ether - Anisole - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• External Descriptors: a small molecule

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)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

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PPARA Tclin Peroxisome proliferator-activated receptor alpha (9197 Activities)

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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

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HepG2 (196354 Activities)

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

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ampC Beta-lactamase AmpC (62480 Activities)

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Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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Nannizzia gypsea (2039 Activities)

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Microsporum canis (872 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Fusarium solani (1274 Activities)

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Staphylococcus aureus (210822 Activities)

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Klebsiella aerogenes (4963 Activities)

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Escherichia coli (133304 Activities)

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Streptococcus mutans (2687 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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Cyberlindnera jadinii (900 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Corynebacterium ammoniagenes (75 Activities)

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Cutibacterium acnes (887 Activities)

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Penicillium chrysogenum (1593 Activities)

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Aspergillus fumigatus (16427 Activities)

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Dermatophagoides pteronyssinus (58 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Trichophyton rubrum (3646 Activities)

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Leishmania donovani (89745 Activities)

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Meloidogyne incognita (862 Activities)

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Trichoplusia ni (986 Activities)

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Mus musculus (284745 Activities)

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Epidermophyton floccosum (561 Activities)

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RAW264.7 (28094 Activities)

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RBL-2H3 (1162 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

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Colletotrichum gloeosporioides (560 Activities)

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Malassezia furfur (70 Activities)

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Phytophthora cactorum (113 Activities)

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Rhizoctonia solani (2251 Activities)

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Trichophyton mentagrophytes (4846 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Alternaria humicola (1 Activities)

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Dermatophagoides farinae (123 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Índice de refracción: 1.5388
• Punto de inflamación (°F): 230 °F
• Punto de inflamación (°C): 117℃
• Punto de ebullición (°C): 248~249°C
• Punto de fusión (°C): -4°C
• Peso molecular: 178.230 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 178.099 Da
• Monoisotopic Mass: 178.099 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 156.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Miaomiao Liu, Siqi Jing, Tiantian Xie, Haiyan Liu, Ligai Bai.  (2023)  Fabrication of a bio-based polymer adsorbent and its application for extraction and determination of glycosides from Huangqi Liuyi decoction.  JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,      [PMID:38181557] [10.1016/j.jpba.2023.115947]

2. Yao Xiao, Zaizhi Liu, Huiyan Gu, Lei Yang, Tingting Liu, Hao Tian.  (2023)  Preparation and characterization of a modified Canna starch as a wall material for the encapsulation of methyleugenol improves its antifungal activity against Fusarium trichothecioides.  FOOD CHEMISTRY,      [PMID:37683464] [10.1016/j.foodchem.2023.137324]

3. Danxia Wu, Li Wang, Wei Li, Xiangyang Li.  (2023)  Identifying a New Target for BtOBP8: Discovery of a Small Amino Ketone Molecule Containing Benzothiazole Fragments.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:37651643] [10.1021/acs.jafc.3c02594]

4. Yiping Mo, Guilin Liu, Shanshan Liu, Wangyang Lu.  (2023)  Pyrolysis-Free Synthesis of Bimetal Phthalocyanine Covalent Organic Polymers/Ordered Mesoporous Carbon Nanocomposites for an Efficient Oxygen Reduction Reaction.  ACS Applied Nano Materials,      [PMID:] [10.1021/acsanm.3c01276]

5. Miaomiao Liu, Sinan Lu, Haiyan Liu, Hongyuan Yan, Ligai Bai.  (2023)  Determination and isolation of purpurin and mollugin from Rubiae Radix ET Rhizoma based on a monolithic adsorbent prepared by bio-monomer.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2023.108644]

6. Yao Xiao, Ru Zhao, Zaizhi Liu, Lin Zhang, Huiyan Gu, Fengjian Yang, Lei Yang, Tingting Liu.  (2023)  An efficient method to obtain essential oil from Asarum heterotropoides via homogenate-microwave-assisted hydrodistillation and evaluation of Fusarium species inhibition activity in vitro compared to its main components.  INDUSTRIAL CROPS AND PRODUCTS,      [PMID:] [10.1016/j.indcrop.2023.116366]

7. Jinjia Liu, Min Chen, Weihua Ma, Lifang Zheng, Bing Zhang, Huiting Zhao, Yusuo Jiang.  (2023)  Composition of Strawberry Flower Volatiles and Their Effects on Behavior of Strawberry Pollinators, Bombus terrestris and Apis mellifera.  Agronomy-Basel,  13  (2): (339).  [PMID:] [10.3390/agronomy13020339]

8. Ting Li, Xi Zhao, Xueli Cao.  (2023)  Volatile Metabolome and Aroma Differences of Six Cultivars of Prunus mume Blossoms.  Plants-Basel,  12  (2): (308).  [PMID:36679020] [10.3390/plants12020308]

9. Yingjie Fu, Yipeng Zhang, Shitong Zeng, Liwen Luo, Hui Xi, Peng Li, Dingzhong Wang, Tougen Liao, Jiajia Chen, Shihao Sun, Jianping Xie.  (2021)  The effect of long-chain alkanes on flavour release and olfactory characteristics of rose essential oil.  FLAVOUR AND FRAGRANCE JOURNAL,  37  (1): (72-80).  [PMID:] [10.1002/ffj.3681]

10. Jing Zhang, Deye Luo, Peng Wu, Haozhe Li, Hongyu Zhang, Weiwei Zheng.  (2018)  Identification and expression profiles of novel odorant binding proteins and functional analysis of OBP99a in Bactrocera dorsalis.  ARCHIVES OF INSECT BIOCHEMISTRY AND PHYSIOLOGY,  98  (1): (e21452).  [PMID:29450902] [10.1002/arch.21452]

11. Lin Fu, Hengxin Ren, Chaoxing Wang, Yaxin Zhao, Bohang Zou, Xiangyu Zhang.  (2025)  Formation of PEG-PLGA Microspheres for Controlled Release of Simvastatin and Carvacrol: Enhanced Lipid-Lowering Efficacy and Improved Patient Compliance in Hyperlipidemia Therapy.  Polymers,  17  (5): (574).  [PMID:40076067] [10.3390/polym17050574]

12. Shaojie Ren, Bingjie Wang, Xiao Qiu, Shuguang Wang, Guohe Huang, Yunkun Wang.  (2024)  Unveiling Antibacterial and Antibiofilm Mechanisms of Methyleugenol: Implications for Ecomaterial Functionalization.  ACS ES&T Engineering,      [PMID:] [10.1021/acsestengg.3c00602]