Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E06BKD)
DIG Name
Glyceryl laurate
Synonyms    Click to Show/Hide the Synonyms of This DIG
Monolaurin; 2,3-Dihydroxypropyl dodecanoate; 142-18-7; 1-Monolaurin; Lauricidin; Glyceryl monolaurate; GLYCERYL LAURATE; 1-Glyceryl laurate; Glycerol 1-laurate; 1-Monolauroyl-rac-glycerol; 2,3-Dihydroxypropyl laurate; 1-Monododecanoylglycerol; Glycerol monolaurate; Laurin, 1-mono-; Dodecanoic acid, 2,3-dihydroxypropyl ester; Lauric acid 1-monoglyceride; Glycerin 1-monolaurate; Glycerol 1-monolaurate; Glyceryl monododecanoate; Glycerides, C12-18; 27215-38-9; 1-Lauroyl-rac-glycerol; (+-)-Glyceryl 1-monododecanoate; Dodecanoic acid alpha-monoglyceride; .alpha.-monolaurin; glyceryl 1-laurate; (+-)-2,3-Dihydroxypropyl dodecanoate; 1-monolauroylglycerol; Lauric acid, monoester with glycerol; 67701-26-2; CHEBI:75543; 1-Monolaurin;1-Lauroyl-rac-glycerol; NSC698570; NCGC00164528-01; AI3-03482; alpha-Monolaurin; DSSTox_CID_21275; DSSTox_RID_79676; DSSTox_GSID_41275; 40738-26-9; Dodecanoic acid, monoester with 1,2,3-propanetriol; Glucerol alpha-monolaurate; DL-alpha-Laurin; Monolauroylglycerin; CAS-142-18-7; Lauric acid alpha-monoglyceride; 3-Dodecanoyloxy-1,2-propanediol; EINECS 205-526-6; Lauricidin R; (C12-C18)Trialkyl glyceride; Cithrol GML; rac-1-monolaurin; Hodag GML; Glycerox L 8; Lauricidin 802; Lauricidin 812; C15H30O4; 1-dodecanoylglycerol; EINECS 266-944-2; Glyceryl laurate SE; Grindtek ML 90; Dimodan ML 90; Imwitor 312; Sunsoft 750; Sunsoft 757; Monomuls 90L12; rac-1-lauroylglycerol; Aldo MLD-K-FG; Aldo MLD (Related); Glycerol 1-dodecanoate; kessco GML (Related); Tegin L 90; Dodecanoic acid,2,3-dihydroxypropyl ester; rac-1-dodecanoylglycerol; SDA 16-001-00; rac-1-monolauroylglycerol; Glycerol alpha-monolaurate; Laurin, mono- (8CI); Imwitor 312 (Related); Poem M 300; EC 205-526-6; EC 266-944-2; Glycerol monolaurate (VAN); Glycerol .alpha.-dodecanoate; Glycerol .alpha.-monolaurate; Grindtek ML 90 (Related); SCHEMBL16042; Monomuls 90L12 (Related); MLS004773952; 2,3-Dihydroxypropyl laurate #; CHEMBL510533; DTXSID5041275; CHEBI:75539; Lauric acid .alpha.-monoglyceride; 1-Lauroyl-rac-glycerol, >=99%; 1,2,3-Propanetriol 1-dodecanoate; 1-dodecanoylglycerol racemic mixture; MAG 12:0; NSC 4837; rac-2,3-dihydroxypropyl dodecanoate; EINECS 248-337-4; Tox21_112159; Tox21_300759; ANW-68854; MFCD00037815; Dodecanoic acid .alpha.-monoglyceride; (.+/-.)-Glyceryl 1-monododecanoate; AKOS016005827; Dodecanoic acid,3-dihydroxypropyl ester; MCULE-9747489063; NSC-698570; NCGC00164528-02; NCGC00164528-03; NCGC00164528-04; NCGC00254663-01; 5-TRIFLUOROMETHYL-2-PYRIMIDINAMINE; AS-60593; NCI60_035284; SMR001254002; (.+/-.)-2,3-Dihydroxypropyl dodecanoate; FT-0625428; FT-0626744; FT-0774814; G0081; M 300; ST51037331; X7308; A-8588; Q2113676
DIG Function
Emollient; Emulsifying agent; Emulsion stabilizing agent; Solubilizing agent; Surfactant; Viscosity-controlling agent
PubChem CID
14871
Formula
C15H30O4
Canonical SMILES
CCCCCCCCCCCC(=O)OCC(CO)O
InChI
1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3
InChIKey
ARIWANIATODDMH-UHFFFAOYSA-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=14871"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 274.4 Topological Polar Surface Area 66.8
XlogP 4.2 Complexity 206
Heavy Atom Count 19 Rotatable Bond Count 14
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      G-protein coupled receptor (GPCR)
            DBT Name: Adenosine receptor A3 (AA3R) 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 = 23 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID AA3R_HUMAN
            DBT Name: Alpha-1A adrenoceptor (ADA1A) 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 = 6.8 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID ADA1A_HUMAN
            DBT Name: Dopamine D1 receptor (DRD1) 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 = 29 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID DRD1_HUMAN
            DBT Name: Dopamine D3 receptor (DRD3) 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 = 4.8 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID DRD3_HUMAN
      Transferase (TFase)
            DBT Name: Protein kinase C theta (PKC-Q) 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 = 5240 nM (estimated based on the structural similarity with CHEMBL55267 ) [2]
                    Structural Similarity Tanimoto coefficient = 0.960784314
                    Tested Species Homo sapiens (Human)
                    UniProt ID KPCT_HUMAN
      Hydrolase (HDase)
            DBT Name: Phosphodiesterase 3A (PDE3A) 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 > 10 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID PDE3A_HUMAN
      Potential-driven transporter (PDT)
            DBT Name: Norepinephrine transporter (NET) 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 = 13 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID SC6A2_HUMAN
References
1 The activities of drug inactive ingredients on biological targets. Science. 2020 Jul 24;369(6502):403-413.
2 Binding of curcumin and its long chain derivatives to the activator binding domain of novel protein kinase C. Bioorg Med Chem. 2010 Feb 15; 18(4):1591-8.

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