Details of Metabolite

General Information of MET (ID: META00921)
Name 3-(3,4-Dimethoxyphenyl)-2-propenoic acid
Synonyms   Click to Show/Hide Synonyms of This Metabolite
(2E)-3-(3,4-Dimethoxyphenyl)acrylic acid; (2E)-3-(3,4-Dimethoxyphenyl)prop-2-enoic acid', (e)-3',4'-Dimethoxycinnamic acid, '(e)-3,4-Dimethoxycinnamic acid; 3, 4-Dimethoxycinnamic acid; 3,4-Dimethoxy-cinnamic acid; 3,4-Dimethoxy-trans-cinnamic acid; 3,4-Dimethoxycinnamate; 3,4-Dimethoxycinnamic acid; 3,4-Dimethoxycinnamic acid, 8ci; 3,4-Dimethoxycinnamic acid, predominantly trans; 3,4-Dimethoxyphenyl-2-propenoic acid; 3-(3,4-Dimethoxyphenyl)-(e)-2-propenoic acid; 3-(3,4-Dimethoxyphenyl)-2-propenoate', Oo'-dimethylcaffeic acid, Oo'-dimethylcaffeate, '(2E)-3-(3,4-Dimethoxyphenyl)-2-propenoic acid; 3-(3,4-Dimethoxyphenyl)-2-propenoic acid, 9ci; 3-(3,4-Dimethoxyphenyl)propenoic acid; 3-(3,4-Dimethoxyphenyl)propenoic acid, (e)-isomer; Caffeic acid dimethyl ether; Dimethyl caffeic acid; Dimethylcaffeic acid; e)-3,4-Dimethoxycinnamic acid
Source Food
Structure Type   Hydroxycinnamic acids and derivatives  (Click to Show/Hide the Complete Structure Type Hierarchy)
Phenylpropanoids and polyketides
Cinnamic acids and derivatives
Hydroxycinnamic acids and derivatives
PubChem CID
717531
HMDB ID
HMDB0034315
Formula
C11H12O4
Structure
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3D MOL 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
ChEBI ID
86549
FooDB ID
FDB012665
ChemSpider ID
626174
Physicochemical Properties Molecular Weight 208.21 Topological Polar Surface Area 55.8
XlogP 1.8 Complexity 237
Heavy Atom Count 15 Rotatable Bond Count 4
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4
Function
3-(3,4-Dimethoxyphenyl)-2-propenoic acid is found in beverages. 3-(3,4-Dimethoxyphenyl)-2-propenoic acid is found in kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002
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 3-(3,4-Dimethoxyphenyl)-2-propenoic acid concentration: increase (FC = 22.12)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Healthy individual
                      Details It is reported that overexpression of AN2 leads to the increase of 3-(3,4-dimethoxyphenyl)-2-propenoic acid 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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