Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0OV4T)
DIG Name
Tricaprin
Synonyms    Click to Show/Hide the Synonyms of This DIG
Tricaprin; Tridecanoin; 621-71-6; Glycerol tricaprate; Glycerol tridecanoate; Glyceryl tridecanoate; Decanoin, tri-; Caprin; Tricapric glyceride; Glycerol tricaprin; 1,2,3-Tridecanoylglycerol; Capric acid triglyceride; Glyceryl tricaprate; Dynasan 110; tri-n-Caprin; Decanoic acid, 1,2,3-propanetriyl ester; 2,3-di(decanoyloxy)propyl decanoate; propane-1,2,3-triyl tris(decanoate); Propane-1,2,3-triyl tridecanoate; UNII-O1PB8EU98M; Capric triglyceride; 1,2,3-Propanol tridecanoate; Glycerin tridecanoate; NSC 147475; tridecanoin C10:0; O1PB8EU98M; 1,2,3-tricaprinoyl-glycerol; 1,2,3-tridecanoyl-sn-glycerol; 1,2,3-tridecanoyl-sn-sn-glycerol; 2,3-Bis(decanoyloxy)propyl decanoate; Decanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester; ASTM D6584 Tricaprin Solution, Internal Standard #2; TG(10:0/10:0/10:0); Glycerol tris(decanoate); EINECS 210-702-0; 1,2,3-Tricaprinoylglycerol; BRN 1717683; tri-Decanoin; AI3-36968; 1,2,3-Tridecanoyl-rac-glycerol; Glycerol tridecanoic acid; Glyceryl tridecanoic acid; Decanoin, tri- (8CI); bmse000566; 4-02-00-01047 (Beilstein Handbook Reference); GLYCEROL TRI-N-CAPRATE; SCHEMBL126224; T7517_SIGMA; Tridecanoin;Glycerol tricaprate; 1,2, 3-propanetriyl-Decanoate; DTXSID1042651; CHEBI:77388; BCP31609; C33H62O6; HY-N6660; 1,2, 3-propanetriyl-Decanoic acid; 6949AF; ANW-42090; LMGL03012617; MFCD00036239; NSC147475; ZINC32786165; Decanoic acid,2,3-propanetriyl ester; Glyceryl tridecanoate, >=99% (GC); AKOS015899809; CCG-270027; MCULE-5558247364; NSC-147475; Tricaprin 8000 microg/mL in Pyridine; 2,3-Bis(decanoyloxy)propyl decanoate #; 2,3-bis(decanoyloxy)propyl decanoic acid; 3,6,9,12,15,18,21,24,27,30-Decaoxadotriacontan-1-ol,32-(4-(1,1,3,- 3-tetramethylbutyl)phenoxy)-; CS-0083196; FT-0704752; S5731; 2,3-bis(decanoyloxy)propyl decanoate (ACD/Name 4.0); Q27146923; TG 10:0/10:0/10:0; Tricaprin, certified reference material, TraceCERT(R); Tricaprin, European Pharmacopoeia (EP) Reference Standard; UNII-43AGM4PHPI component LADGBHLMCUINGV-UHFFFAOYSA-N; UNII-C9H2L21V7U component LADGBHLMCUINGV-UHFFFAOYSA-N; UNII-FJ1H6M2JG9 component LADGBHLMCUINGV-UHFFFAOYSA-N; UNII-J4BY50FL78 component LADGBHLMCUINGV-UHFFFAOYSA-N; UNII-ZF29F7IK5I component LADGBHLMCUINGV-UHFFFAOYSA-N; UNII-U73D397055 component LADGBHLMCUINGV-UHFFFAOYSA-N
DIG Function
Emollient
PubChem CID
69310
Formula
C33H62O6
Canonical SMILES
CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC
InChI
1S/C33H62O6/c1-4-7-10-13-16-19-22-25-31(34)37-28-30(39-33(36)27-24-21-18-15-12-9-6-3)29-38-32(35)26-23-20-17-14-11-8-5-2/h30H,4-29H2,1-3H3
InChIKey
LADGBHLMCUINGV-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=69310"></iframe>
3D MOL is not available 2D MOL
Physicochemical Properties Molecular Weight 554.8 Topological Polar Surface Area 78.9
XlogP 12.2 Complexity 543
Heavy Atom Count 39 Rotatable Bond Count 32
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 06 Mental/behavioural/neurodevelopmental disorder Click to Show/Hide
Lamotrigine
 API Info
Bipolar disorder [ICD-11: 6A60]
 [1]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Transferase (TFase)
            DBT Name: Protein kinase C (RKC) 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 = 10000 nM (estimated based on the structural similarity with CHEMBL26341 ) [2]
                    Structural Similarity Tanimoto coefficient = 0.978723404
                    Tested Species Rattus norvegicus (Rat)
                    UniProt ID KPCA_RAT ; KPCB_RAT ; KPCD_RAT ; KPCE_RAT ; KPCG_RAT ; KPCL_RAT ; KPCT_RAT ; KPCZ_RAT
References
1 FDA label for approved lamotrigine from the official website of the U.S. Food and Drug Administration.
2 The synthesis and evaluation of diacylglycerol analogues as potential second-messenger antagonists. Bioorg Med Chem Lett. (1992) 2:127-130.

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