Details of Metabolite

General Information of MET (ID: META00917)
Name Mulberrofuran M
Synonyms   Click to Show/Hide Synonyms of This Metabolite
(+-)-p-Chlorphenylalanine; 3-(4-Chlorophenyl)-DL-alanine; 3-(p-Chlorophenyl)-DL-alanine; 3-(p-Chlorophenyl)-alanine; 4-Chloro-3-phenyl-L-alanine; 4-Chloro-3-phenylalanine; 4-Chloro-DL-phenylalanine; 4-Chloro-phenylalanine; 4-Chlorophenylalanine; C-Pal; C9H10ClNO2; CPD W/O isomeric designation; DL-3-(4-Chlorophenyl)alanine; DL-3-(p-Chlorophenyl)alanine; DL-Pcpa; DL-p-Chlorophenylalanine; Fenchlonine; Fenclonin; Fenclonina; Fenclonine; Fencloninum; L-p-Chlorophenylalanine; PCP; Para-chlorophenylalanine; p-Chloro-DL-phenylalanine; p-Chlorophenylalanine; p-Clorophenylalanine
Source Food;TCM Ingredients
Structure Type   2-arylbenzofuran flavonoids  (Click to Show/Hide the Complete Structure Type Hierarchy)
Phenylpropanoids and polyketides
2-arylbenzofuran flavonoids
PubChem CID
21594897
HMDB ID
HMDB0033261
Formula
C34H22O10
Structure
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3D MOL 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
FooDB ID
FDB011284
ChemSpider ID
10218753
Physicochemical Properties Molecular Weight 590.5 Topological Polar Surface Area 160
XlogP 6.6 Complexity 1130
Heavy Atom Count 44 Rotatable Bond Count 4
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 10
Function
Mulberrofuran M is found in fruits. Mulberrofuran M is a constituent of Morus alba (white mulberry).
Regulatory Network
Full List of Protein(s) Regulating This Metabolite
      Pore-forming PNC peptide (PNC)
            Cellular tumor antigen p53 (TP53) 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 Knockout of TP53
                      Induced Change Mulberrofuran M concentration: increase (Log2 FC=1.38)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Colon cancer [ICD-11: 2B90]
                      Details It is reported that knockout of TP53 leads to the increase of mulberrofuran M levels compared with control group.
References
1 Integrative omics analysis of p53-dependent regulation of metabolism. FEBS Lett. 2018 Feb;592(3):380-393.

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