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targets (1)
for drugs
Identification
Name ACETOPHENONE
Accession Number DB04619
Type small molecule
Groups experimental
Description Not Available
Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms Not Available
Brand names Not Available
Brand name mixtures Not Available
Categories
  • Photosensitizing Agents
CAS number Not Available
Weight Average: 120.1485
Monoisotopic: 120.057514878
Chemical Formula C8H8O
InChI Key InChIKey=KWOLFJPFCHCOCG-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
Plain Text
IUPAC Name
1-phenylethan-1-one
SMILES
CC(=O)C1=CC=CC=C1
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
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
Melting point Not Available
Experimental Properties Not Available
Predicted Properties
Property Value Source
water solubility 1.36e+00 g/l ALOGPS
logP 1.65 ALOGPS
logP 1.53 ChemAxon Molconvert
logS -1.95 ALOGPS
pKa ChemAxon Molconvert
hydrogen acceptor count 1 ChemAxon Molconvert
hydrogen donor count 0 ChemAxon Molconvert
polar surface area 17.07 ChemAxon Molconvert
rotatable bond count 1 ChemAxon Molconvert
refractivity 36.46 ChemAxon Molconvert
polarizability 13.06 ChemAxon Molconvert
References
Synthesis Reference Not Available
General Reference Not Available
External Links
Resource Link
PubChem Compound 7410 Link_out
PubChem Substance 46507681 Link_out
ChEBI 27632 Link_out
ChEMBL 27632 Link_out
HET AC0 Link_out
ATC Codes Not Available
AHFS Codes Not Available
PDB Entries Not Available
FDA label Not Available
MSDS Not Available
Interactions
Drug Interactions
Drug Interaction
Food Interactions Not Available
Targets

1. R-specific alcohol dehydrogenase

Pharmacological action: unknown
Organism class: bacterial
UniProt ID: Q84EX5 Link_out
Gene: radh
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out
Comments
Drug created on September 11, 2007 11:49 / Updated on April 19, 2011 15:14

This project is supported by Genome Alberta & Genome Canada, a not-for-profit organization that is leading Canada's national genomics strategy with $600 million in funding from the federal government. This project is also supported in part by GenomeQuest, Inc., an enterprise genomic information company serving the life science community.