Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0I4VY)
DIG Name
Triolein
Synonyms    Click to Show/Hide the Synonyms of This DIG
Triolein; GLYCERYL TRIOLEATE; Glycerol trioleate; Oleic triglyceride; Olein; Trioleoylglycerol; Glycerol triolein; Oleic acid triglyceride; Trioleoylglyceride; Glycerin trioleate; Oleyl triglyceride; 122-32-7; Raoline; Glyceryl-1,2,3-trioleate; Aldo TO; Emery 2423; Olein, tri-; 1,2,3-Propanetriyl trioleate; Emery oleic acid ester 2230; Glycerol, tri(cis-9-octadecenoate); HSDB 5594; Triglyceride OOO; Edenor NHTi-G; Kaolube 190; sn-Glyceryl trioleate; 1,2,3-Tri(cis-9-octadecenoyl)glycerol; 1,2,3-tri-(9Z-octadecenoyl)-glycerol; Actor LO 1; Kemester 1000; UNII-O05EC62663; Emerest 2423; 9-Octadecenoic acid (Z)-, 1,2,3-propanetriyl ester; 9-Octadecenoic acid (9Z)-, 1,2,3-propanetriyl ester; Estol 1433; Radia 7363; 1,2,3-tri-oleoyl-glycerol; 1,2,3-Propanetriol tri(9-octandecenoate); propane-1,2,3-triyl trioleate; CHEBI:53753; TG(18:1(9Z)/18:1(9Z)/18:1(9Z)); 2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl (Z)-octadec-9-enoate; 9-Octadecenoic acid, 1,2,3-propanetriyl ester; (9Z)9-Octadecenoic acid 1,2,3-propanetriyl ester; MFCD00137563; O05EC62663; propane-1,2,3-triyl (9Z,9'Z,9''Z)tris-octadec-9-enoate; TG 54:3; EINECS 204-534-7; CCRIS 8687; tri-Olein; 9-Octadecenoic-9,10-t2 acid, 1,2,3-propanetriyl ester, (Z,Z,Z)- (9CI); Glycerol trioleate,; C57H104O6; triolein C18:1; Triolein, tech grade; tri(cis-9-octadecenoate); Epitope ID:117714; 1,2,3-propanetriyl ester; EC 204-534-7; Glyceryl trioleate, ~65%; SCHEMBL23730; Glyceryl trioleate, >=99%; 9-Octadecenoic acid (9Z)-, 1,1',1''-(1,2,3-propanetriyl) ester; CHEMBL4297656; DTXSID3026988; HY-N1981; Triolein, [9,10-3H(N)]-; LMGL03010250; ZINC85545180; AKOS024437536; DB13038; Glyceryl trioleate, >=97.0% (TLC); 1,2,3-tri-(9Z-octadecenoyl)-sn-glycerol; CS-0018302; G0089; V0255; Glyceryl trioleate, technical, >=60% (GC); (Z)-1,2,3-propanetriyl ester 9-Octadecenoate; (9Z)-1,2,3-propanetriyl ester 9-Octadecenoate; Glyceryl trioleate, analytical reference material; Q413929; (9Z)-1,2,3-propanetriyl ester 9-Octadecenoic acid; (Z)-1,2,3-propanetriyl ester 9-Octadecenoic acid; (Z)-9-Octadecenoic acid, 1,2,3-propanetriyl ester; J-004788; propane-1,2,3-triyl tris[(9Z)-octadec-9-enoate]; AC7B54B8-0E34-455F-A1E0-442F3ECD69EA; Triolein, European Pharmacopoeia (EP) Reference Standard; TG(18:1(9Z)/18:1(9Z)/18:1(9Z))[iso]; UNII-2GQR19D8A4 component PHYFQTYBJUILEZ-IUPFWZBJSA-N; UNII-4PC054V79P component PHYFQTYBJUILEZ-IUPFWZBJSA-N; (9Z)-1,1',1''-(1,2,3-propanetriyl) ester 9-Octadecenoate; (9Z)-1,1',1''-(1,2,3-propanetriyl) ester 9-Octadecenoic acid; 9-octadecenoic acid, 1,2,3-propanetriyl ester, (9Z,9'Z,9''Z)-; Triolein (18:1 TG), 1,2,3-tri-(9Z-octadecenoyl)-glycerol, neat oil
DIG Function
Complexing agent; Microencapsulating agent; Modified-release agent; Solubilizing agent; Tonicity agent
PubChem CID
5497163
Formula
C57H104O6
Canonical SMILES
CCCCCCCC/C=C\\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\\CCCCCCCC)COC(=O)CCCCCCC/C=C\\CCCCCCCC
InChI
1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-
InChIKey
PHYFQTYBJUILEZ-IUPFWZBJSA-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=5497163"></iframe>
3D MOL is not available 2D MOL
Physicochemical Properties Molecular Weight 885.4 Topological Polar Surface Area 78.9
XlogP 22.4 Complexity 1010
Heavy Atom Count 63 Rotatable Bond Count 53
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 15 Musculoskeletal/connective-tissue disease Click to Show/Hide
Cyclosporin A
 API Info
Rheumatoid arthritis [ICD-11: FA20]
 [1]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Hydrolase (HDase)
            DBT Name: Oleamide hydrolase 1 (FAAH) 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 = 11000 nM (estimated based on the structural similarity with CHEMBL230967 ) [2]
                    Structural Similarity Tanimoto coefficient = 0.93442623
                    Tested Species Rattus norvegicus (Rat)
                    UniProt ID FAAH1_RAT
References
1 FDA label for approved cyclosporin A from the official website of the U.S. Food and Drug Administration.
2 Structure-activity relationship of a series of inhibitors of monoacylglycerol hydrolysis--comparison with effects upon fatty acid amide hydrolase. J Med Chem. 2007 Oct 4; 50(20):5012-23.

If you find any error in data or bug in web service, please kindly report it to Dr. Zhang and Dr. Mou.