Details of Metabolite

General Information of MET (ID: META01267)
Name Methyl gallate
Synonyms   Click to Show/Hide Synonyms of This Metabolite
METHYL GALLATE; Methyl 3,4,5-trihydroxybenzoate; 99-24-1; Gallic acid methyl ester; Methylgallate; Benzoic acid, 3,4,5-trihydroxy-, methyl ester; Gallic acid, methyl ester; methyl galloate; MFCD00002194; UNII-623D3XG80C; 3,4,5-Trihydroxybenzoic acid methyl ester; AI3-00861; 3,4,5-Trihydroxy-benzoic acid methyl ester; CHEMBL65675; 623D3XG80C; NSC363001; Methyl 3,4,5-trihydroxybenzoate, 99%; GALLINCIN; CCRIS 5567; EINECS 202-741-7; NSC 363001; BRN 2113180; Methyl gallate;; methyl-3,4,5-trihydroxybenzoate; Gallic acid methyl; ACMC-209sc1; cid_7428; SCHEMBL39513; 4-10-00-01998 (Beilstein Handbook Reference); MLS000574912; DTXSID3059189; ZINC21789; CHEBI:145828; HMS2210A23; HMS3346G16; ACT10740; HY-N2010
Structure Type   Benzoic acids and derivatives  (Click to Show/Hide the Complete Structure Type Hierarchy)
Benzenoids
Benzene and substituted derivatives
Benzoic acids and derivatives
PubChem CID
7405
Formula
C8H8O5
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 184.15 Topological Polar Surface Area 87
XlogP 0.9 Complexity 181
Heavy Atom Count 13 Rotatable Bond Count 2
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 5
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 Methyl gallate concentration: increase
                      Summary Introduced Variation         Induced Change 
                      Disease Status Healthy individual
                      Details It is reported that overexpression of AN2 leads to the increase of methyl gallate 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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