Identification
- Generic Name
- Capric acid
- DrugBank Accession Number
- DB03600
- Background
Decanoic acid is a solid. This compound belongs to the straight chain fatty acids. These are fatty acids with a straight aliphatic chain. The proteins that decanoic acid targets include furin, octanoyltransferase, 3-oxoacyl-[acyl-carrier-protein] synthase 1, peptostreptococcal albumin-binding protein, and putative uncharacterized protein tcp14.
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Capric acid (DB03600)
- Weight
- Average: 172.2646
Monoisotopic: 172.146329884 - Chemical Formula
- C10H20O2
- Synonyms
- 1-nonanecarboxylic acid
- Capric acid
- Decanoic acid
- n-capric acid
- n-decanoic acid
- n-decylic acid
- External IDs
- FEMA NO. 2364
- NSC-5025
- PALMAC-99-10
- PRIFAC-2906
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UFurin Not Available Humans UPeptostreptococcal albumin-binding protein Not Available Peptostreptococcus magnus UGlycolipid transfer protein Not Available Humans UOctanoyltransferase Not Available Mycobacterium tuberculosis UPutative uncharacterized protein tcp14 Not Available Actinoplanes teichomyceticus UPeroxisome proliferator-activated receptor gamma ligandHumans U3-oxoacyl-[acyl-carrier-protein] synthase 1 Not Available Escherichia coli (strain K12) - Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
Pathway Category Fatty Acid Biosynthesis Metabolic - Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
- Not Available
Interactions
- Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Drug Interaction Integrate drug-drug
interactions in your softwareAcenocoumarol The therapeutic efficacy of Acenocoumarol can be increased when used in combination with Capric acid. Dicoumarol The therapeutic efficacy of Dicoumarol can be increased when used in combination with Capric acid. Fluindione The therapeutic efficacy of Fluindione can be increased when used in combination with Capric acid. Phenindione The therapeutic efficacy of Phenindione can be increased when used in combination with Capric acid. Phenprocoumon The therapeutic efficacy of Phenprocoumon can be increased when used in combination with Capric acid. - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
- Kingdom
- Organic compounds
- Super Class
- Lipids and lipid-like molecules
- Class
- Fatty Acyls
- Sub Class
- Fatty acids and conjugates
- Direct Parent
- Medium-chain fatty acids
- Alternative Parents
- Straight chain fatty acids / Monocarboxylic acids and derivatives / Carboxylic acids / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
- Substituents
- Aliphatic acyclic compound / Carbonyl group / Carboxylic acid / Carboxylic acid derivative / Hydrocarbon derivative / Medium-chain fatty acid / Monocarboxylic acid or derivatives / Organic oxide / Organic oxygen compound / Organooxygen compound
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- medium-chain fatty acid, straight-chain saturated fatty acid (CHEBI:30813) / Straight chain fatty acids, Saturated fatty acids (C01571) / Straight chain fatty acids (LMFA01010010)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 4G9EDB6V73
- CAS number
- 334-48-5
- InChI Key
- GHVNFZFCNZKVNT-UHFFFAOYSA-N
- InChI
- InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
- IUPAC Name
- decanoic acid
- SMILES
- CCCCCCCCCC(O)=O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0000511
- KEGG Compound
- C01571
- PubChem Compound
- 2969
- PubChem Substance
- 46509055
- ChemSpider
- 2863
- BindingDB
- 50239187
- 22380
- ChEBI
- 30813
- ChEMBL
- CHEMBL107498
- ZINC
- ZINC000001529229
- PDBe Ligand
- DKA
- Wikipedia
- Decanoic_acid
- PDB Entries
- 1e7e / 1f91 / 1fk0 / 1gxs / 1p8j / 1qqs / 1t5m / 1t5n / 1tf0 / 1tfj … show 27 more
Clinical Trials
- Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
Property Value Source melting point (°C) 31.9 °C PhysProp boiling point (°C) 268.7 °C PhysProp water solubility 61.8 mg/L (at 25 °C) YALKOWSKY,SH & DANNENFELSER,RM (1992) logP 4.09 HANSCH,C ET AL. (1995) logS -3.44 ADME Research, USCD pKa 4.9 BARRATT,MD (1996) - Predicted Properties
Property Value Source Water Solubility 0.0946 mg/mL ALOGPS logP 3.93 ALOGPS logP 3.59 Chemaxon logS -3.3 ALOGPS pKa (Strongest Acidic) 4.95 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 37.3 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 49.48 m3·mol-1 Chemaxon Polarizability 21.61 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.9888 Blood Brain Barrier + 0.9488 Caco-2 permeable + 0.8326 P-glycoprotein substrate Non-substrate 0.6321 P-glycoprotein inhibitor I Non-inhibitor 0.9598 P-glycoprotein inhibitor II Non-inhibitor 0.9277 Renal organic cation transporter Non-inhibitor 0.9266 CYP450 2C9 substrate Non-substrate 0.7886 CYP450 2D6 substrate Non-substrate 0.8956 CYP450 3A4 substrate Non-substrate 0.6982 CYP450 1A2 substrate Inhibitor 0.8326 CYP450 2C9 inhibitor Non-inhibitor 0.8808 CYP450 2D6 inhibitor Non-inhibitor 0.9554 CYP450 2C19 inhibitor Non-inhibitor 0.9578 CYP450 3A4 inhibitor Non-inhibitor 0.9484 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9647 Ames test Non AMES toxic 0.9865 Carcinogenicity Non-carcinogens 0.6452 Biodegradation Ready biodegradable 0.8795 Rat acute toxicity 1.3275 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9322 hERG inhibition (predictor II) Non-inhibitor 0.8868
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 151.3602404 predictedDarkChem Lite v0.1.0 [M-H]- 156.0799803 predictedDarkChem Standard v0.1.0 [M-H]- 151.2347404 predictedDarkChem Lite v0.1.0 [M-H]- 151.2246404 predictedDarkChem Lite v0.1.0 [M-H]- 144.88976 predictedDeepCCS 1.0 (2019) [M+H]+ 148.08998 predictedDeepCCS 1.0 (2019) [M+Na]+ 156.90143 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Serine-type endopeptidase inhibitor activity
- Specific Function
- Furin is likely to represent the ubiquitous endoprotease activity within constitutive secretory pathways and capable of cleavage at the RX(K/R)R consensus motif.
- Gene Name
- FURIN
- Uniprot ID
- P09958
- Uniprot Name
- Furin
- Molecular Weight
- 86677.375 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
- Kind
- Protein
- Organism
- Peptostreptococcus magnus
- Pharmacological action
- Unknown
- General Function
- Not Available
- Specific Function
- Binds serum albumin.
- Gene Name
- pab
- Uniprot ID
- Q51911
- Uniprot Name
- Peptostreptococcal albumin-binding protein
- Molecular Weight
- 43057.45 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Lipid binding
- Specific Function
- Accelerates the intermembrane transfer of various glycolipids. Catalyzes the transfer of various glycosphingolipids between membranes but does not catalyze the transfer of phospholipids. May be inv...
- Gene Name
- GLTP
- Uniprot ID
- Q9NZD2
- Uniprot Name
- Glycolipid transfer protein
- Molecular Weight
- 23849.6 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
- Kind
- Protein
- Organism
- Mycobacterium tuberculosis
- Pharmacological action
- Unknown
- General Function
- Catalyzes the transfer of endogenously produced octanoic acid from octanoyl-acyl-carrier-protein onto the lipoyl domains of lipoate-dependent enzymes. Lipoyl-ACP can also act as a substrate although octanoyl-ACP is likely to be the physiological substrate.
- Specific Function
- Lipoyl(octanoyl) transferase activity
- Gene Name
- lipB
- Uniprot ID
- P9WK83
- Uniprot Name
- Octanoyltransferase
- Molecular Weight
- 24210.415 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
- Kind
- Protein
- Organism
- Actinoplanes teichomyceticus
- Pharmacological action
- Unknown
- General Function
- Metal ion binding
- Specific Function
- Not Available
- Gene Name
- tcp14
- Uniprot ID
- Q6ZZJ1
- Uniprot Name
- Putative uncharacterized protein tcp14
- Molecular Weight
- 30067.18 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- Ligand
- General Function
- Zinc ion binding
- Specific Function
- Nuclear receptor that binds peroxisome proliferators such as hypolipidemic drugs and fatty acids. Once activated by a ligand, the nuclear receptor binds to DNA specific PPAR response elements (PPRE...
- Gene Name
- PPARG
- Uniprot ID
- P37231
- Uniprot Name
- Peroxisome proliferator-activated receptor gamma
- Molecular Weight
- 57619.58 Da
References
- Zhang L, Ren XM, Wan B, Guo LH: Structure-dependent binding and activation of perfluorinated compounds on human peroxisome proliferator-activated receptor gamma. Toxicol Appl Pharmacol. 2014 Sep 15;279(3):275-83. doi: 10.1016/j.taap.2014.06.020. Epub 2014 Jul 3. [Article]
- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- 3-oxoacyl-[acyl-carrier-protein] synthase activity
- Specific Function
- Catalyzes the condensation reaction of fatty acid synthesis by the addition to an acyl acceptor of two carbons from malonyl-ACP. Specific for elongation from C-10 to unsaturated C-16 and C-18 fatty...
- Gene Name
- fabB
- Uniprot ID
- P0A953
- Uniprot Name
- 3-oxoacyl-[acyl-carrier-protein] synthase 1
- Molecular Weight
- 42612.995 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Carriers
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- No
- General Function
- Toxic substance binding
- Specific Function
- Serum albumin, the main protein of plasma, has a good binding capacity for water, Ca(2+), Na(+), K(+), fatty acids, hormones, bilirubin and drugs. Its main function is the regulation of the colloid...
- Gene Name
- ALB
- Uniprot ID
- P02768
- Uniprot Name
- Serum albumin
- Molecular Weight
- 69365.94 Da
References
- Kenyon MA, Hamilton JA: 13C NMR studies of the binding of medium-chain fatty acids to human serum albumin. J Lipid Res. 1994 Mar;35(3):458-67. [Article]
- Vorum H, Pedersen AO, Honore B: Fatty acid and drug binding to a low-affinity component of human serum albumin, purified by affinity chromatography. Int J Pept Protein Res. 1992 Nov;40(5):415-22. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Drug created at June 13, 2005 13:24 / Updated at June 30, 2022 18:20