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targets (6) carriers (1)
for drugs
Identification
Name Decanoic Acid
Accession Number DB03600 (DB03838, EXPT01213)
Type small molecule
Groups experimental
Description Not Available
Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms
Capric acid
Salts Not Available
Brand names Not Available
Brand mixtures Not Available
Categories
  • Antifungal Agents
CAS number 334-48-5
Weight Average: 172.2646
Monoisotopic: 172.146329884
Chemical Formula C10H20O2
InChI Key InChIKey=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)
Plain Text
IUPAC Name
decanoic acid
SMILES
CCCCCCCCCC(O)=O
Plain Text
Mass Spec Not Available
Taxonomy
Kingdom Not Available
Classes Not Available
Substructures Not Available
Pharmacology
Indication Not Available
Pharmacodynamics Not Available
Mechanism of action Not Available
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
Toxicity Not Available
Affected organisms Not Available
Pathways Not Available
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 31.9 °C PhysProp
boiling point 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 9.46e-02 g/l 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 ChemAxon
rotatable bond count 8 ChemAxon
refractivity 49.48 ChemAxon
polarizability 21.61 ChemAxon
References
Synthesis Reference Not Available
General Reference Not Available
External Links
Resource Link
KEGG Compound C01571 Link_out
PubChem Compound 2969 Link_out
PubChem Substance 46509055 Link_out
ChemSpider 2863 Link_out
ChEBI 30813 Link_out
ChEMBL 30813 Link_out
HET DKA Link_out
ATC Codes Not Available
AHFS Codes Not Available
PDB Entries
FDA label Not Available
MSDS Not Available
Interactions
Drug Interactions Not Available
Food Interactions Not Available
Targets

1. 3-oxoacyl-[acyl-carrier-protein] synthase 1

Pharmacological action: unknown

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 acids

Organism class: bacterial
UniProt ID: P0A953 Link_out
Gene: fabB
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. 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. Pubmed
  3. 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. Pubmed

2. Furin

Pharmacological action: unknown

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

Organism class: human
UniProt ID: P09958 Link_out
Gene: FURIN
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. 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. Pubmed

3. Peptostreptococcal albumin-binding protein

Pharmacological action: unknown

Binds serum albumin

Organism class: bacterial
UniProt ID: Q51911 Link_out
Gene: pab Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. 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. Pubmed

4. Glycolipid transfer protein

Pharmacological action: unknown

Accelerates the intermembrane transfer of various glycolipids. Catalyzes the transfer of various glycosphingolipids and glyceroglycolipids between membranes but does not catalyze the transfer of phospholipids. It is possible that it is involved in the intracellular translocation of glucosylceramides

Organism class: human
UniProt ID: Q9NZD2 Link_out
Gene: GLTP Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. 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. Pubmed

5. Octanoyltransferase

Pharmacological action: unknown
Organism class: bacterial
UniProt ID: Q10404 Link_out
Gene: lipB
SNPs: SNPJam Report Link_out

References:
  1. 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. Pubmed

6. Putative uncharacterized protein

Pharmacological action: unknown
Organism class: bacterial
UniProt ID: Q6ZZJ1 Link_out
Gene: tcp14 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. 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. Pubmed
Carriers

1. Serum albumin

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 colloidal osmotic pressure of blood

UniProt ID: P02768 Link_out
Gene: ALB Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. 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. Pubmed
  2. 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. Pubmed
  3. 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. Pubmed
Comments
Drug created on June 13, 2005 07:24 / Updated on February 08, 2013 16:22