OCA

OCTANOIC ACID (CAPRYLIC ACID)

Created:	1999-07-08
Last modified:	2024-09-27

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43 entries where OCA is found as a standalone ligand14 entries where OCA is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	0

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Chemical Component Summary
Name	OCTANOIC ACID (CAPRYLIC ACID)
Systematic Name (OpenEye OEToolkits)	octanoic acid
Formula	C₈ H₁₆ O₂
Molecular Weight	144.211
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CCCCCCC
SMILES	CACTVS	3.341	CCCCCCCC(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCC(=O)O
Canonical SMILES	CACTVS	3.341	CCCCCCCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCC(=O)O
InChI	InChI	1.03	InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
InChIKey	InChI	1.03	WWZKQHOCKIZLMA-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04519
Name	Caprylic acid
Groups	investigational
Description	Caprylic acid is an eight-carbon chain fatty acid, also known systematically as octanoic acid. It is found naturally in coconuts and breast milk. It is an oily liquid with a slightly unpleasant rancid-like smell that is minimally soluble in water.
Synonyms	Acide octanoïque 1-heptanecarboxylic acid n-caprylic acid Acide octanoique Octylic acid Octanoic acid Caprylic acid Kaprylsäure Acidum octanocium ácido octanoico Acidum octanoicum Octoic acid n-Octoic acid n-octylic acid n-octanoic acid C8:0
Categories	Acids, Acyclic Fatty Acids Lipids OAT1/SLC22A6 inhibitors OAT3/SLC22A8 Inhibitors
CAS number	124-07-2

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Peroxisome proliferator-activated receptor alpha	MVDTESPLCPLSPLEAGDLESPLSEEFLQEMGNIQEISQSIGEDSSGSFG...	unknown
3-oxoacyl-[acyl-carrier-protein] synthase 1	MKRAVITGLGIVSSIGNNQQEVLASLREGRSGITFSQELKDSGMRSHVWG...	unknown
Acyl-CoA thioesterase I	MMNFNNVFRWHLPFLFLVLLTFRAAAADTLLILGDSLSAGYRMSASAAWP...	unknown
Solute carrier family 22 member 6	MAFNDLLQQVGGVGRFQQIQVTLVVLPLLLMASHNTLQNFTAAIPTHHCR...	unknown	inhibitor
Solute carrier family 22 member 8	MTFSEILDRVGSMGHFQFLHVAILGLPILNMANHNLLQIFTAATPVHHCR...	unknown	inhibitor
Solute carrier family 22 member 11	MAFSKLLEQAGGVGLFQTLQVLTFILPCLMIPSQMLLENFSAAIPGHRCW...	unknown	inhibitor
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Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682