Details of Metabolite

General Information of MET (ID: META00686)
Name Rhein
Synonyms   Click to Show/Hide Synonyms of This Metabolite
1,8-Dihydroxy-3-carboxyl anthraquinone; 1,8-Dihydroxy-3-carboxyl-9,10-anthraquinone; 1,8-Dihydroxyanthraquinone-3-carboxylic acid; 4, 5-Dihydroxyanthraquinone-2-carboxylic acid; 4,5-DiOH-anthraquinone-2-COOH; 4,5-Dihydroxy-2-anthraquinonecarboxylic acid; 4,5-Dihydroxyanthraquinone-2-carboxylic acid; 9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthracenecarboxylic acid, 9ci; 9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthroic acid; Cassic acid; Chrysazin-3-carboxylic acid; Dipropionyl rhein; Monorhein; Rhein (1,8-dihydroxy-3-carboxyl anthraquinone); Rhubarb yellow
Source Food;Drug;Polyketides;Food;TCM Ingredients;Plant Metabolite
Structure Type   Anthracenecarboxylic acids and derivatives  (Click to Show/Hide the Complete Structure Type Hierarchy)
Benzenoids
Anthracenes
Anthracenecarboxylic acids and derivatives
PubChem CID
10168
HMDB ID
HMDB0032876
Formula
C15H8O6
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=10168"></iframe>
3D MOL 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
KEGG ID
C10401
DrugBank ID
DB13174
FooDB ID
FDB010856
ChemSpider ID
9762
Physicochemical Properties Molecular Weight 284.22 Topological Polar Surface Area 112
XlogP 2.2 Complexity 487
Heavy Atom Count 21 Rotatable Bond Count 1
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 6
Function
Rhein is found in dock. Rhein is present in Rheum palmatum (Chinese rhubarb
Regulatory Network
Full List of Protein(s) Regulating This Metabolite
      Transcription factor (TF)
            Forkhead box protein O1 (FOXO1) 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 Foxo1
                      Induced Change Rhein concentration: increase (FC = 1.20)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Healthy individual
                      Details It is reported that overexpression of Foxo1 leads to the increase of rhein levels compared with control group.
References
1 Metabolomic analysis of C2C12 myoblasts induced by the transcription factor FOXO1. FEBS Lett. 2019 Jun;593(12):1303-1312.

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