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Basic Description
| Synonyms | METHYLEUGENOL | Methyl eugenol | 93-15-2 | 4-Allyl-1,2-dimethoxybenzene | Eugenol methyl ether | 4-Allylveratrole | O-Methyleugenol | Eugenyl methyl ether | Methyl eugenol ether | Veratrole methyl ether | Methyl eugenyl ether | 1,2-Dimethoxy-4-(2-propenyl)benzene | Benzene, 1,2- |
|---|---|
| Specifications & Purity | 10mM in DMSO |
| Storage Temp | Store at -80°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
4-Allyl-1,2-dimethoxybenzene was identified and quantified using automated headspace solid-phase microextraction coupled with GC/MS/MS. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Methoxybenzenes
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | 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 |
| Description | 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 |
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Associated Targets(Human)
NR3C1
Tclin
Glucocorticoid receptor (14987 Activities)
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AR
Tclin
Androgen Receptor (11781 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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PPARG
Tclin
Peroxisome proliferator-activated receptor gamma (15191 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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PPARA
Tclin
Peroxisome proliferator-activated receptor alpha (9197 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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THRB
Tclin
Thyroid hormone receptor beta-1 (7926 Activities)
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ALDH1A1
Tchem
Aldehyde dehydrogenase 1A1 (77053 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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NR1H4
Tclin
Bile acid receptor FXR (6228 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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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Associated Targets(non-human)
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)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Dermatophagoides pteronyssinus (58 Activities)
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Cryptococcus neoformans (21258 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Candida albicans (78123 Activities)
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Trichophyton rubrum (3646 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Leishmania donovani (89745 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Meloidogyne incognita (862 Activities)
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Trichoplusia ni (986 Activities)
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Mus musculus (284745 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Epidermophyton floccosum (561 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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RAW264.7 (28094 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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RBL-2H3 (1162 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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GCN5
Histone acetyltransferase GCN5 (89 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Colletotrichum gloeosporioides (560 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Alternaria humicola (1 Activities)
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Dermatophagoides farinae (123 Activities)
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| IUPAC Name | 1,2-dimethoxy-4-prop-2-enylbenzene |
|---|---|
| INCHI | InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3 |
| InChIKey | ZYEMGPIYFIJGTP-UHFFFAOYSA-N |
| Smiles | COC1=C(C=C(C=C1)CC=C)OC |
| Isomeric SMILES | COC1=C(C=C(C=C1)CC=C)OC |
| WGK Germany | 1 |
| RTECS | CY2450000 |
| UN Number | 2810 |
| Packing Group | I |
| Molecular Weight | 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= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Refractive Index | 1.5388 |
|---|---|
| Flash Point(°F) | 230 °F |
| Flash Point(°C) | 117℃ |
| Boil Point(°C) | 248~249°C |
| Melt Point(°C) | -4°C |
| Molecular Weight | 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 |
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