2D Structure
3D Structure
| Properties | |
|---|---|
| PID | PID00096 |
| Mol. Weight | 122.167 g/mol |
| LogP | 2.63 |
| Water solubility | 0.0501 mol/L at 20 °C |
| Hydrogen Bond Donor | 1 |
| Hydrogen Bond Acceptor | 1 |
| Rotatable Bonds | 1 |
| XLogP3 | 2.6 |
| Identifiers | |
|---|---|
| Formula | C8H10O |
| PubChem CID | 31242 |
| FEMA | 3156 |
| Flavor Profile | Powerful Woody-Phenolic, Yet Somewhat Sweet, Medicinal, Phenolic, Sweet Smokey; Leather, Phenol, Spice, Stable |
| Smiles | CCc1ccc(O)cc1 |
| InChl Key | HXDOZKJGKXYMEW-UHFFFAOYSA-N |
| InChl | InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3 |
| CAS Registry Number | 123-07-9, 29471-88-3 |
| IUPAC Systematic Name | 4-ethylphenol |
Organ Location Map/System Distribution of Pungent Flavor Compounds’ Targets
Note: Known Targets (Gene) from 6952 literatures, DrugBank (http://www.drugbank.ca/), STITCH (http://stitch.embl.de/), ChEMBL (https://www.ebi.ac.uk/chembl/), Therapeutic Target Database (http://bidd.nus.edu.sg/group/ttd/), and Comparative Toxicogenomics Database (CTD, http://ctdbase.org/)
| English Name | Pinyin Name (Chinese Name) | Latin Name | Properties in TCM | merdians | View Graph |
|---|---|---|---|---|---|
| Chinese Angelica Equivalent plant: Phlojodicarpus | Dang Gui (当归) | Angelicae Sinensis Radix | Warm,Pungent,Sweet | Spleen,Liver,Heart | View Graph |
p-Ethylphenol is produced by the spoilage yeast Brettanomyces. When it reaches concentrations greater than the sensory threshold (140 g/L) it can give the wine aromas described as barnyard, medicinal, band-aids, and mousy. In certain Belgian beer styles, a high p-ethylphenol level may be desirable.The level of p-ethylphenol is roughly proportional to Brettanomyces concentration and activity, and can therefore be used as an indicator of the yeast's presence.p-ethylphenol enhance IL-4 production in activated T cells by two independent pathways, PI3-K/PKC/NF-AT and PKC/p38 MAPK/AP-1.
Note: Click anywhere in the blank, you can drag the whole dynamic diagram. Click on a node, you can drag his location to see it more clearly. The blue circle represents pharmacology, toxicology, or daily use. Orange hexagon represents the pungent compounds.
1. Muhr E, Schhle K, Clermont L,Snwoldt, K., Kleinsorge, D., Seyhan, D., Heider, J. Enzymes of anaerobic ethylbenzene and p-ethylphenol catabolism in Aromatoleum aromaticum: Differentiation and differential induction[J]. Archives of microbiology, 2015, 197(9): 1051-1062.
2. Dias L, Pereira-da-Silva S, Tavares M, Malfeito-Ferreira, M., Loureiro, V. Factors affecting the production of 4-ethylphenol by the yeast Dekkera bruxellensis in enological conditions[J]. Food Microbiology, 2003, 20(4): 377-384.
3. Oelofse A, Lonvaud-Funel A, Du Toit M. Molecular identification of Brettanomyces bruxellensis strains isolated from red wines and volatile phenol production[J]. Food Microbiology, 2009, 26(4): 377-385.
4. Park J, Chung S W, Kim S H,Kim, T. S. Up-regulation of interleukin-4 production via NF-AT/AP-1 activation in T cells by biochanin A, a phytoestrogen and its metabolites[J]. Toxicology and applied pharmacology, 2006, 212(3): 188-199.
5. https://en.wikipedia.org/wiki/4-Ethylphenol