Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0AX8U)
DIG Name
Sucrose palmitate
Synonyms    Click to Show/Hide the Synonyms of This DIG
Sucrose, 6-palmitate; 6-palmitatesucrose; UNII-1J18DG53RL; 1J18DG53RL; 13039-41-3; Sucrose palmitate, 90%; SCHEMBL39626; DTXSID50156501; MFCD00047545; ZINC100120387; Q27252473; beta-D-Fructofuranosyl alpha-D-glucopyranoside 6-palmitate; UNII-3H18P0UK73 component XYFGTTCGHCGTDZ-ZRVLSRDKSA-N; UNII-3OSQ643ZK5 component XYFGTTCGHCGTDZ-ZRVLSRDKSA-N; UNII-L98X941W2B component XYFGTTCGHCGTDZ-ZRVLSRDKSA-N; [(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl hexadecanoate
DIG Function
Dispersing agent; Emulsifying agent; Solubilizing agent; Surfactant
PubChem CID
11238581
Formula
C28H52O12
Canonical SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O
InChI
1S/C28H52O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(31)37-17-20-22(32)24(34)25(35)27(38-20)40-28(18-30)26(36)23(33)19(16-29)39-28/h19-20,22-27,29-30,32-36H,2-18H2,1H3/t19-,20-,22-,23-,24+,25-,26+,27-,28+/m1/s1
InChIKey
XYFGTTCGHCGTDZ-ZRVLSRDKSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This DIG
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=11238581"></iframe>
3D MOL is not available 2D MOL
Physicochemical Properties Molecular Weight 580.7 Topological Polar Surface Area 196
XlogP 3.6 Complexity 696
Heavy Atom Count 40 Rotatable Bond Count 21
Hydrogen Bond Donor Count 7 Hydrogen Bond Acceptor Count 12
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Oxidoreductase (ORase)
            DBT Name: Albendazole monooxygenase (CYP3A4) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity EC50 = 8.8 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CP3A4_HUMAN
            DBT Name: Cytochrome P450 2C9 (CYP2C9) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 559 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CP2C9_HUMAN
            DBT Name: Mephenytoin 4-hydroxylase (CYP2C19) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity EC50 = 119.1 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CP2CJ_HUMAN
            DBT Name: Cytochrome P450 3A5 (CYP3A5) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity EC50 = 6.4 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CP3A5_HUMAN
      Cell line (CELL)
            DBT Name: Colon cancer HCT-15 cells (HCT-15) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 0.65 ug.mL-1 (estimated based on the structural similarity with CHEMBL552345 ) [2]
                    Structural Similarity Tanimoto coefficient = 0.940298507
                    Tested Species Homo sapiens (Human)
                    Cellosaurus ID CVCL_0292
References
1 Mediation of in vitro cytochrome p450 activity by common pharmaceutical excipients. Mol Pharm. 2013 Jul 1;10(7):2739-48.
2 Total synthesis and anticancer activity of highly potent novel glycolipid derivatives. Eur J Med Chem. 2009 Aug; 44(8):3120-9.

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