Details of the Drug

General Information of Drug (ID: DM31YGM)

• Drug Name: Monoctanoin component C
• Synonyms: DICAPRYLIN; MONOCTANOIN COMPONENT C; 1069-87-0; 3-Hydroxypropane-1,2-diyl dioctanoate; 36354-80-0; diC8; Octanoic acid, 1-(hydroxymethyl)-1,2-ethanediyl ester; 1,2-Dicapryloylglycerol; 1,2-Dioctanoyl-rac-glycerol; 1,2-Dioctanoin; Octanoin, 1,2-di-; Glycerol 1,2-dicaprylate; AC1Q5YA4; SCHEMBL825310; CHEMBL24609; AC1L1B82; CTK4A4899; ZQBULZYTDGUSSK-UHFFFAOYSA-N; HSCI1_000084; IN1353; AKOS027383004; ACM36354800; (3-hydroxy-2-octanoyloxypropyl) octanoate; FT-0748382; 1-hydroxy-3-(octanoyloxy)propan-2-yl octa

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 344.5
  Logarithm of the Partition Coefficient (xlogp); 5.4
  Rotatable Bond Count (rotbonds); 18
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C19H36O5
  IUPAC Name: (3-hydroxy-2-octanoyloxypropyl) octanoate
  Canonical SMILES: CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC
  InChI: InChI=1S/C19H36O5/c1-3-5-7-9-11-13-18(21)23-16-17(15-20)24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3
  InChIKey: ZQBULZYTDGUSSK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 1323
  CAS Number: 1069-87-0
  TTD ID: D08GFG

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Protein kinase C gamma (PRKCG)	TTRFOXJ	KPCG_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Protein kinase C gamma (PRKCG)	DTT	PRKCG	9.42E-04	0.06	0.3

References

• [1] Synthesis and characterization of the second cysteine-rich region of mouse skin PKCGh, Bioorg. Med. Chem. Lett. 6(4):353-356 (1996).