Details of Metabolite

General Information of MET (ID: META01228)
Name Coniferaldehyde
Synonyms   Click to Show/Hide Synonyms of This Metabolite
Coniferaldehyde; Coniferyl aldehyde; 4-HYDROXY-3-METHOXYCINNAMALDEHYDE; 458-36-6; 20649-42-7; coniferylaldehyde; Ferulyl aldehyde; 3-(4-Hydroxy-3-methoxyphenyl)acrylaldehyde; 3-(4-Hydroxy-3-methoxyphenyl)prop-2-enal; UNII-06TPT01AD5; Ferulaldehyde; (E)-3-(4-Hydroxy-3-methoxyphenyl)acrylaldehyde; (2e)-3-(4-Hydroxy-3-Methoxyphenyl)prop-2-Enal; 2-Propenal, 3-(4-hydroxy-3-methoxyphenyl)-, (2E)-; 3-Methoxy-4-hydroxycinnamaldehyde; Cinnamaldehyde, 4-hydroxy-3-methoxy-; 06TPT01AD5
Source Aromatic homomonocyclic compounds
Structure Type   Methoxyphenols  (Click to Show/Hide the Complete Structure Type Hierarchy)
Benzenoids
Phenols
Methoxyphenols
PubChem CID
5280536
HMDB ID
HMDB0141782
Formula
C10H10O3
Structure
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3D MOL 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
KEGG ID
C02666
ChEBI ID
16547
FooDB ID
FDB001513
ChemSpider ID
4444167
Physicochemical Properties Molecular Weight 178.18 Topological Polar Surface Area 46.5
XlogP 1.5 Complexity 189
Heavy Atom Count 13 Rotatable Bond Count 3
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Function
Coniferaldehyde (CAS: 458-36-6), also known as 4-hydroxy-3-methoxycinnamaldehyde or ferulaldehyde, belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Coniferaldehyde is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, coniferaldehyde is found, on average, in the highest concentration within sherries. Coniferaldehyde has also been detected, but not quantified in, several different foods, such as highbush blueberries, lima beans, Chinese cabbages, loquats, and greenthread tea. This could make coniferaldehyde a potential biomarker for the consumption of these foods. BioTransformer predicts that coniferaldehyde is a product of caffeic aldehyde metabolism via a catechol-O-methylation-pattern2 reaction catalyzed by the enzyme catechol O-methyltransferase.
Regulatory Network
Full List of Protein(s) Regulating This Metabolite
      Transcription factor (TF)
            R2R3-MYB (AN2) Click to Show/Hide the Full List of Regulating Pair(s):   1 Pair(s)
               Detailed Information Protein   Info click to show the details of this protein
               Regulating Pair Experim Info click to show the details of experiment for validating this pair [1]
                      Introduced Variation Overexpression of AN2
                      Induced Change Coniferaldehyde concentration: increase
                      Summary Introduced Variation         Induced Change 
                      Disease Status Healthy individual
                      Details It is reported that overexpression of AN2 leads to the increase of coniferaldehyde levels compared with control group.
References
1 Comprehensive Influences of Overexpression of a MYB Transcriptor Regulating Anthocyanin Biosynthesis on Transcriptome and Metabolome of Tobacco Leaves. Int J Mol Sci. 2019 Oct 16;20(20):5123.

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