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Identification
Name 4-Butyrolactone
Accession Number DB04699
Type small molecule
Groups experimental
Description

One of the FURANS with a carbonyl thereby forming a cyclic lactone. It is an endogenous compound made from gamma-aminobutyrate and is the precursor of gamma-hydroxybutyrate. It is also used as a pharmacological agent and solvent. [PubChem]
Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms
1,4-Lactone
dihydrofuran-2(3h)-one
Salts Not Available
Brand names Not Available
Brand mixtures Not Available
Categories
  • Solvents
CAS number 187997-16-6
Weight Average: 86.0892
Monoisotopic: 86.036779436
Chemical Formula C4H6O2
InChI Key InChIKey=YEJRWHAVMIAJKC-UHFFFAOYSA-N
InChI
InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2
Plain Text
IUPAC Name
oxolan-2-one
SMILES
O=C1CCCO1
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 Not Available
Predicted Properties
Property Value Source
water solubility 2.38e+02 g/l ALOGPS
logP -0.11 ALOGPS
logP 0.15 ChemAxon
logS 0.44 ALOGPS
pKa (strongest basic) -7 ChemAxon
physiological charge 0 ChemAxon
hydrogen acceptor count 1 ChemAxon
hydrogen donor count 0 ChemAxon
polar surface area 26.3 ChemAxon
rotatable bond count 0 ChemAxon
refractivity 20.31 ChemAxon
polarizability 8.23 ChemAxon
References
Synthesis Reference Not Available
General Reference Not Available
External Links
Resource Link
KEGG Compound C01770 Link_out
PubChem Compound 7302 Link_out
PubChem Substance 46508619 Link_out
ChEBI 42639 Link_out
ChEMBL 42639 Link_out
HET GBL Link_out
ATC Codes Not Available
AHFS Codes Not Available
PDB Entries Not Available
FDA label Not Available
MSDS Not Available
Interactions
Drug Interactions Not Available
Food Interactions Not Available
Targets

1. O-GlcNAcase nagJ

Pharmacological action: unknown

Biological function unknown. Capable of hydrolyzing the glycosidic link of O-GlcNAcylated proteins (By similarity)

Organism class: bacterial
UniProt ID: Q8XL08 Link_out
Gene: nagJ
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out
Comments
Drug created on September 11, 2007 11:49 / Updated on February 08, 2013 16:23