Details of Metabolite

General Information of MET (ID: META01376)
Name 3-O-p-Coumaroyl quinic acid
Synonyms   Click to Show/Hide Synonyms of This Metabolite
3-O-p-Coumaroylquinate; 1,4,5-Trihydroxy-3-[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]cyclohexanecarboxylic acid, 9ci; O-Coumaroylquinic acid; p-Coumaroyl quinic acid; trans-5-O-(4-Coumaroyl)-D-quinate; trans-5-O-(4-Coumaroyl)-D-quinic acid; 2-Coumaroylquinic acid; Digestion; Flora; Gramineae; Cytoplasma; Extracellular region
Source Aromatic homomonocyclic compounds
Structure Type   Alcohols and polyols  (Click to Show/Hide the Complete Structure Type Hierarchy)
Organic oxygen compounds
Organooxygen compounds
Alcohols and polyols
PubChem CID
9945785
HMDB ID
HMDB0029681
Formula
C16H18O8
Structure
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3D MOL 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
FooDB ID
FDB000240
Physicochemical Properties Molecular Weight 338.31 Topological Polar Surface Area 145
XlogP -0.1 Complexity 496
Heavy Atom Count 24 Rotatable Bond Count 5
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 8
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-O-p-Coumaroyl quinic acid concentration: increase (FC = 24.27)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Healthy individual
                      Details It is reported that overexpression of AN2 leads to the increase of 3-o-p-coumaroyl quinic 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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