Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0C3AX)
DIG Name
Lauric acid
Synonyms    Click to Show/Hide the Synonyms of This DIG
lauric acid; DODECANOIC ACID; 143-07-7; n-Dodecanoic acid; Dodecylic acid; Laurostearic acid; Vulvic acid; Dodecoic acid; Duodecylic acid; 1-Undecanecarboxylic acid; Aliphat No. 4; Neo-fat 12; C12 fatty acid; Ninol AA62 Extra; Wecoline 1295; Neo-fat 12-43; Hydrofol acid 1255; Hydrofol acid 1295; Duodecyclic acid; Hystrene 9512; Dodecylcarboxylate; Univol U-314; Lauric acid, pure; Lauric acid (natural); Coconut oil fatty acids; ABL; Undecane-1-carboxylic acid; Laurinsaeure; NSC-5026; C12:0; MFCD00002736; C-1297; UNII-1160N9NU9U; n-Dodecanoate; Philacid 1200; Dodecanoic Acid Anion; CHEBI:30805; Prifrac 2920; Lunac L 70; Emery 651; DAO; CH3-[CH2]10-COOH; NSC5026; 1160N9NU9U; dodecylate; laurostearate; vulvate; DODECANOIC ACID (LAURIC ACID); Lauric acid, 99%; DSSTox_CID_1590; 1-undecanecarboxylate; DSSTox_RID_76223; DSSTox_GSID_21590; Dodecanoic acid-12-13C; lauric-acid; DODECANOIC-2,2-D2 ACID; CAS-143-07-7; SMR001253907; CCRIS 669; FEMA No. 2614; HSDB 6814; EINECS 205-582-1; BRN 1099477; Dodecanoic acid(Lauric acid); dodecanic acid; Acide Laurique; AI3-00112; dilauric acid;; n-Dodecanoicacid; 3uil; Lauric acid (NF); Lauric Acid 652; Kortacid 1299; Lauric Acid, Reagent; Nissan NAA 122; Emery 650; Lunac L 98; Prifac 2920; Univol U 314; Dodecanoic acid, 98%; Dodecanoic acid, 99%; ACMC-1BTHL; Dodecanoic (Lauric) acid; bmse000509; dodecanoic acid ester group; EC 205-582-1; SCHEMBL5895; NCIOpen2_009480; CCCCCCCCCCCC([O])=O; 4-02-00-01082 (Beilstein Handbook Reference); MLS002177807; MLS002415737; WLN: QV11; Dodecanoic acid (lauric acid); Dodecanoic acid, >=99.5%; Edenor C 1298-100; CHEMBL108766; GTPL5534; Lauric acid-1,2-[13C2]; DTXSID5021590; Lauric acid-1,12-[13C2]; HMS2268C14; HMS3649N06; HY-Y0366; STR08039; ZINC1529498; Dodecanoic acid, analytical standard; Lauric acid, >=98%, FCC, FG; Tox21_202149; Tox21_303010; ANW-20737; BDBM50180948; LMFA01010012; s4726; SBB060023; STL281860; AKOS000277433; Lauric acid-1,2,3,4-[13C4]; CCG-266587; DB03017; EBD2203547; MCULE-2795129925; NCGC00090919-01; NCGC00090919-02; NCGC00090919-03; NCGC00256486-01; NCGC00259698-01; AC-16451; Dodecanoic acid, >=99% (GC/titration); LAU; ST023796; Dodecanoic acid, purum, >=96.0% (GC); Lauric acid, natural, >=98%, FCC, FG; CS-0015078; FT-0625572; FT-0695772; L0011; A16350; C02679; D10714; Q422627; SR-01000838338; J-007739; SR-01000838338-3; F0001-0507; Z966690584; 76C2A2EB-E8BA-40A6-8032-40A98625ED7B; Lauric acid, European Pharmacopoeia (EP) Reference Standard; UNII-13FB83DEYU component POULHZVOKOAJMA-UHFFFAOYSA-N; UNII-79P21R4317 component POULHZVOKOAJMA-UHFFFAOYSA-N; Lauric acid, United States Pharmacopeia (USP) Reference Standard; Lauric Acid, Pharmaceutical Secondary Standard; Certified Reference Material
DIG Function
Antifoaming agent; Emulsifying agent; Lubricant; Penetration agent; Surfactant
PubChem CID
3893
Formula
C12H24O2
Canonical SMILES
CCCCCCCCCCCC(=O)O
InChI
1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
InChIKey
POULHZVOKOAJMA-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=3893"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 200.32 Topological Polar Surface Area 37.3
XlogP 4.2 Complexity 132
Heavy Atom Count 14 Rotatable Bond Count 10
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      G-protein coupled receptor (GPCR)
            DBT Name: Free fatty acid receptor 1 (FFAR1) 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 = 758.58 nM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID FFAR1_HUMAN
            DBT Name: Free fatty acid receptor 4 (FFAR4) 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 = 7585.78 nM (tested by experiment) [2]
                    Tested Species Homo sapiens (Human)
                    UniProt ID FFAR4_HUMAN
            DBT Name: GPCR84 receptor (GPR84) 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 Ki = 2170 nM (tested by experiment) [3]
                    Tested Species Homo sapiens (Human)
                    UniProt ID GPR84_HUMAN
      Nuclear receptor (NR)
            DBT Name: PPAR-alpha (PPARA) 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 = 30000 nM (tested by experiment) [4]
                    Tested Species Homo sapiens (Human)
                    UniProt ID PPARA_HUMAN
            DBT Name: PPAR-delta (PPARD) 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 = 30000 nM (tested by experiment) [4]
                    Tested Species Homo sapiens (Human)
                    UniProt ID PPARD_HUMAN
            DBT Name: PPAR-gamma (PPARG) 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 = 30000 nM (tested by experiment) [4]
                    Tested Species Homo sapiens (Human)
                    UniProt ID PPARG_HUMAN
References
1 Development and Characterization of a Potent Free Fatty Acid Receptor 1 (FFA1) Fluorescent Tracer. J Med Chem. 2016 May 26; 59(10):4849-58.
2 Succinct synthesis of saturated hydroxy fatty acids and in vitro evaluation of all hydroxylauric acids on FFA1, FFA4 and GPR84. Med Chem Comm. 2017; 8:1360-1365.
3 An Agonist Radioligand for the Proinflammatory Lipid-Activated G Protein-Coupled Receptor GPR84 Providing Structural Insights. J Med Chem. 2020 Mar 12; 63(5):2391-2410.
4 Molecular properties of fatty acids related to PPAR binding and metabolic diseases. Med Chem Res (2013) 22:3126-3133.

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