Details of Metabolite

General Information of MET (ID: META01217)
Name Isohemiphloin
Synonyms   Click to Show/Hide Synonyms of This Metabolite
Isohemiphloin; 3682-02-8; Schoepfiajasmin F; SCHEMBL7176077; CHEBI:80529; ZINC30730956; Q27149573; (1S)-1,5-anhydro-1-[(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-D-glucitol
Source Drug;Toxins/Pollutant
Structure Type Benzenoids
PubChem CID
42607891
Formula
C21H22O10
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 434.4 Topological Polar Surface Area 177
XlogP -0.1 Complexity 638
Heavy Atom Count 31 Rotatable Bond Count 3
Hydrogen Bond Donor Count 7 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 Isohemiphloin concentration: increase
                      Summary Introduced Variation         Induced Change 
                      Disease Status Healthy individual
                      Details It is reported that overexpression of AN2 leads to the increase of isohemiphloin 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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