Details of Metabolite

General Information of MET (ID: META01232)
Name Caffeic acid phenethyl ester
Synonyms   Click to Show/Hide Synonyms of This Metabolite
Caffeic acid phenethyl ester; Phenethyl caffeate; 104594-70-9; CAPE; Phenylethyl caffeate; phenethyl 3-(3,4-dihydroxyphenyl)acrylate; Capeee; 115610-29-2; caffeic acid phenylethyl ester; PHENETHYL CAFFEATE (CAPE); UNII-G960R9S5SK; 2-phenylethyl caffeate; 2-phenylethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate; CHEBI:8062; CHEMBL319244; G960R9S5SK; 100981-80-4; (E)-phenethyl 3-(3,4-dihydroxyphenyl)acrylate; MFCD00866470; 2-Phenylethyl (2e)-3-(3,4-Dihydroxyphenyl)prop-2-Enoate; 2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)acrylate; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-phenylethyl ester
Structure Type   Fatty acid esters  (Click to Show/Hide the Complete Structure Type Hierarchy)
Lipids and lipid-like molecules
Fatty Acyls
Fatty acid esters
PubChem CID
5281787
Formula
C17H16O4
Structure
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3D MOL 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
Physicochemical Properties Molecular Weight 284.31 Topological Polar Surface Area 66.8
XlogP 4.2 Complexity 347
Heavy Atom Count 21 Rotatable Bond Count 6
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
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 Caffeic acid phenethyl ester concentration: increase
                      Summary Introduced Variation         Induced Change 
                      Disease Status Healthy individual
                      Details It is reported that overexpression of AN2 leads to the increase of caffeic acid phenethyl ester 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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