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

CAS: 93-15-2 Cat. No.: M426975 분자식: C₁₁H₁₄O₂ 분자량: 178.23 Beilstein Registry Number: 1910871 EC 번호: 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

개요

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

Specifications

동의어

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

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

Pubchem Sid

528768968

정식 스마일

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

이성체 SMILES

COC1=C(C=C(C=C1)CC=C)OC

WGK 독일

1

RTECS

CY2450000

UN 번호

2810

포장 그룹

I

분자량

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
    • 분류 Benzene and substituted derivatives
      • Subclass Methoxybenzenes

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

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NR3C1 Tclin Glucocorticoid receptor (14987 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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작용 메커니즘

화학 및 물리적 특성

• 굴절률: 1.5388
• 발화점(°F): 230 °F
• 발화점(°C): 117℃
• 끓는점(°C): 248~249°C
• 녹는점(°C): -4°C
• 분자량: 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