Details of Metabolite

General Information of MET (ID: META00905)
Name Xanthotoxol
Synonyms   Click to Show/Hide Synonyms of This Metabolite
8-Hydroxyfuranocoumarin; 8-Hydroxypsoralen
Source Endogenous;Food;TCM Ingredients;Xanthotoxin;Herbal Ingredients In-Vivo Metabolism
Structure Type   Furanocoumarins  (Click to Show/Hide the Complete Structure Type Hierarchy)
Phenylpropanoids and polyketides
Coumarins and derivatives
Furanocoumarins
PubChem CID
65090
HMDB ID
HMDB0029457
Formula
C11H6O4
Structure
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3D MOL 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
KEGG ID
C00841
ChEBI ID
15709
FooDB ID
FDB000578
Physicochemical Properties Molecular Weight 202.16 Topological Polar Surface Area 59.7
XlogP 1.6 Complexity 312
Heavy Atom Count 15 Rotatable Bond Count N.A.
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4
Function
Xanthotoxol is found in fats and oils. Xanthotoxol is isolated from Aegle marmelos (bael fruit), Angelica archangelica (angelica) and the seeds of Pastinaca sativa (parsnip
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 Xanthotoxol concentration: decrease (FC = 0.01)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Healthy individual
                      Details It is reported that overexpression of AN2 leads to the decrease of xanthotoxol 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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