2D Structure

3D Structure

Acetaldehyde


Properties
PID PID00073
Mol. Weight 44.053 g/mol
LogP -0.38
Water solubility miscible
Hydrogen Bond Donor 0
Hydrogen Bond Acceptor 1
Rotatable Bonds 3
XLogP3-AA -0.3

Acetaldehyde

Identifiers
Formula C2H4O
PubChem CID 177
FEMA 2003
Flavor Profile Pungent, Fruity Odor, Ether Suffocating Odor That Is Somewhat Fruity And Quite Pleasant In Dilute Concentrations; Tart Taste (Fruits Containing Acetaldehyde Before Ripening); Floral, Green Apple
Smiles CC=O
InChl Key IKHGUXGNUITLKF-UHFFFAOYSA-N
InChl InChI=1S/C2H4O/c1-2-3/h2H,1H3
CAS Registry Number 75-07-0
IUPAC Systematic Name acetaldehyde

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/)


Related Pungent TCM

English Name Pinyin Name (Chinese Name) Latin Name Properties in TCM merdians View Graph
Bush RedpepperLa Jiao (辣椒)Capsici FructusHot, PungentLung, Spleen, Stomach, Heart, KidneyView Graph
Common Hogfennel Equivalent plant: Peucedanum praQian Hu (前胡)Peucedani RadixCold, Bitter, PungentBladder, Spleen, Liver,StomachView Graph
Fennel FruitXiao Hui Xiang (小茴香)Foeniculi FructusWarm, PungentLung, Spleen, StomachView Graph
Radix Angelicae DecursivaeZi Hua Qian Hu(紫花前胡)Peucedani Decursivi RadixCold, Pungent, BitterLiver, Heart, LungView Graph
Combined SpicebushWu Yao(乌药)Linderae RadixWarm, PungentLung, Spleen, StomachView Graph

Pharmacological action

Acetaldehyde (systematic name ethanal) is an organic chemical compound with the formula CH3CHO, sometimes abbreviated by chemists as MeCHO (Me = methyl). It is one of the most important aldehydes, occurring widely in nature and being produced on a large scale in industry. Acetaldehyde occurs naturally in coffee, bread, and ripe fruit, and is produced by plants.

Acetaldehyde is the first metabolite of ethanol and has the potential to react with proteins and alter their function. Acetaldehyde is the first metabolite of ethanol and has the potential to react with proteins and alter their function.

Acetaldehyde is an intermediate by-product in normal carbohydrate metabolism. It is known to psychopharmacologists as the first metabolite of alcohol that is eliminated primarily through oxidation by the enzyme alcohol dehydrogenase in the liver. Acetaldehyde has pharmacological effects on the cardiovascular system, the liver, monoamine neurotransmitter metabolism, brain function, and behavior. At high levels, it can be toxic, causing headache, facial flushing, nausea and vomiting, tachycardia, headache, sweating, dizziness, and confusion.

Acetaldehyde is the key intermediate both in alcoholic fermentation and ethanol oxidation. Furthermore, it is the most abundant carcinogenic compound of tobacco smoke. Acetaldehyde is a highly active and toxic substance that has been surmised to play an etiological role in the development of alcoholic liver damage (Lieber 1980).

Acetaldehyde oxidation is primarily catalyzed with the aldehyde dehydrogenase encoded by the gene ALDH2 and to some extent with the enzyme encoded by the gene ALDH1A1.



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.

References

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