Details of Metabolite

General Information of MET (ID: META01241)
Name Isofraxidin
Synonyms   Click to Show/Hide Synonyms of This Metabolite
Isofraxidin; 486-21-5; Phytodolor; 7-hydroxy-6,8-dimethoxychromen-2-one; 7-Hydroxy-6,8-dimethoxy-2H-1-benzopyran-2-one; 2H-1-Benzopyran-2-one, 7-hydroxy-6,8-dimethoxy-; UNII-304915F056; 6,8-dimethoxy-7-hydroxycoumarin; CHEBI:81121; NSC-324637; 304915F056; 6,8-Dimethoxyumbelliferone; Umbelliferone, 6,8-dimethoxy-; Coumarin, 7-hydroxy-6,8-dimethoxy-; NSC 324637; BRN 0202652; Calycanthogenol; Isofraxidin ,(S); 5-18-04-00332 (Beilstein Handbook Reference)
Source Drug;Toxins/Pollutant
Structure Type   Benzenediols  (Click to Show/Hide the Complete Structure Type Hierarchy)
Benzenoids
Phenols
Benzenediols
PubChem CID
5318565
Formula
C16H22O10
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=5318565"></iframe>
3D MOL 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 Isofraxidin concentration: increase
                      Summary Introduced Variation         Induced Change 
                      Disease Status Healthy individual
                      Details It is reported that overexpression of AN2 leads to the increase of isofraxidin 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.

If you find any error in data or bug in web service, please kindly report it to Dr. Zhang and Dr. Mou.