Details of Metabolite

General Information of MET (ID: META01231)
Name Echinacoside
Synonyms   Click to Show/Hide Synonyms of This Metabolite
Echinacoside; 82854-37-3; UNII-I04O1DT48T; DSSTox_CID_13469; CHEBI:4745; I04O1DT48T; MFCD00075695; [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate; AC1NQZ1Q; Echinacoside;; Echinacoside,(S); SureCN525502; DSSTox_RID_79077; DSSTox_GSID_33469; Echinacoside, 98% (HPLC); SCHEMBL525502
Source Drug;Toxins/Pollutant
Structure Type Benzenoids
PubChem CID
5281771
Formula
C16H22O10
Structure
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3D MOL is unavailable 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
Physicochemical Properties Molecular Weight 374.34 Topological Polar Surface Area 155
XlogP -2 Complexity 592
Heavy Atom Count 26 Rotatable Bond Count 4
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 10
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 Echinacoside concentration: increase
                      Summary Introduced Variation         Induced Change 
                      Disease Status Healthy individual
                      Details It is reported that overexpression of AN2 leads to the increase of echinacoside 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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