Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E04IXR)
DIG Name
Tricaprilin
Synonyms    Click to Show/Hide the Synonyms of This DIG
Tricaprylin; Trioctanoin; Tricaprilin; 538-23-8; Glycerol tricaprylate; Glycerol trioctanoate; Rato; Caprylin; Trioctanoylglycerol; Maceight; Glyceryl trioctanoate; Propane-1,2,3-triyl trioctanoate; Octanoin, tri-; Glyceryl tricaprylate; Tricaprylic glyceride; Caprylic acid triglyceride; 1,2,3-Tri-n-octanoylglycerol; Axona; Caprylic triglyceride; Trioctanoin oil; Octanoic acid triglyceride; Panacete 800; Octanoic acid, 1,2,3-propanetriyl ester; Tricaprylyl glycerin; 2,3-di(octanoyloxy)propyl octanoate; Glycerol Tri-n-octanoate; NSC 4059; Tricapryloylglycerol; Glycerin tricaprylate; 1,2,3-Propanetriol trioctanoate; UNII-6P92858988; AC-1202; Caprylic acid, 1,2,3-propanetriyl ester; Octanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester; Trioctanoin;Glyceryl trioctanoate; CHEBI:76978; CER-0001; NSC-4059; NCGC00091285-01; DSSTox_CID_1375; DSSTox_RID_76119; DSSTox_GSID_21375; TG(8:0/8:0/8:0); 6P92858988; Sefsol 800; caprylidene; Tri-n-octanoin; trioctanoylglyceride; CAS-538-23-8; EINECS 208-686-5; BRN 1717202; tricaprylm; Tri-octanoin; Tri-n-caprylin; HSDB 7829; Emalex KTG; Glycerol trioctanoin; Tricaprylyl glycerol; MFCD00036236; Miglyol 808; Sefsol 810; Captex 8000; Glycerol trioctanoic acid; Octanoin, tri- (8CI); Tricaprilin (JAN/USAN); Tricaprilin [USAN:JAN]; 1,2,3-Trioctanoylglycerol; SCHEMBL61958; 4-02-00-00991 (Beilstein Handbook Reference); MLS002454452; Glyceryl trioctanoate, >=99%; CHEMBL1406148; DTXSID6021375; NSC4059; HMS3039H17; C27H50O6; HY-B1804; ZINC8214697; Tox21_111110; Tox21_201480; Tox21_302762; ANW-42078; s6342; WHO 10584; Octanoic acid,2,3-propanetriyl ester; AKOS015899778; Tox21_111110_1; CCG-214786; DB12176; MCULE-5474939153; 2,3-Bis(octanoyloxy)propyl octanoate #; NCGC00091285-02; NCGC00091285-03; NCGC00256431-01; NCGC00259031-01; SMR001372028; DB-071745; CS-0013846; FT-0720359; ST51037450; T0365; X4616; C13044; D01587; Glyceryl trioctanoate, technical, >=90% (GC); 2-octanoyloxy-1-(octanoyloxymethyl)ethyl octanoate; SR-01000854712; Q2747851; SR-01000854712-2; 3-(2-Chlorophenyl)-1-(3,4-dichlorophenyl)-1-hydroxyurea; Tricaprylin, European Pharmacopoeia (EP) Reference Standard; UNII-C9H2L21V7U component VLPFTAMPNXLGLX-UHFFFAOYSA-N; UNII-FJ1H6M2JG9 component VLPFTAMPNXLGLX-UHFFFAOYSA-N; UNII-J4BY50FL78 component VLPFTAMPNXLGLX-UHFFFAOYSA-N; UNII-ZF29F7IK5I component VLPFTAMPNXLGLX-UHFFFAOYSA-N; Octanoic-1-13C acid,1,1',1''-(1,2,3-propanetriyl) ester; UNII-U73D397055 component VLPFTAMPNXLGLX-UHFFFAOYSA-N
DIG Function
Dispersing agent; Emollient; Lubricant; Penetration agent; Plasticizing agent; Solubilizing agent; Solvent; Surfactant
PubChem CID
10850
Formula
C27H50O6
Canonical SMILES
CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC
InChI
1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3
InChIKey
VLPFTAMPNXLGLX-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=10850"></iframe>
3D MOL is not available 2D MOL
Physicochemical Properties Molecular Weight 470.7 Topological Polar Surface Area 78.9
XlogP 8.9 Complexity 461
Heavy Atom Count 33 Rotatable Bond Count 26
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      G-protein coupled receptor (GPCR)
            DBT Name: Cannabinoid CB1 receptor (CNR1) 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 > 1000 nM (estimated based on the structural similarity with CHEMBL26440 ) [1]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Rattus norvegicus (Rat)
                    UniProt ID CNR1_RAT
            DBT Name: Cannabinoid CB2 receptor (CNR2) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity Ki > 1000 nM (estimated based on the structural similarity with CHEMBL26440 ) [1]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Homo sapiens (Human)
                    UniProt ID CNR2_HUMAN
               Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity Ki > 1000 nM (estimated based on the structural similarity with CHEMBL26440 ) [1]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Mus musculus (Mouse)
                    UniProt ID CNR2_MOUSE
References
1 Assay and inhibition of diacylglycerol lipase activity. Bioorg Med Chem Lett. 2012 Jul 15; 22(14):4585-92.

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