General
Preferred name
BENZYLACETONE
Synonyms
4-Phenylbutan-2-one ()
Methyl 2-phenylethyl ketone ()
4-Phenyl-2-butanone ()
4-Penylbutan-2-one ()
4-Phenyl-2-butanone, Methyl 2-phenylethyl ketone ()
P&D ID
PD087969
CAS
2550-26-7
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Benzylacetone is an aromatic compound from agarwood[1]. Benzylacetone exhibits potent and reversible antityrosinase (mushroom) activity£¬ with IC50s of 2.8 mM and 0.6 mM for monophenolase and diphenolase, respectively[2]. Benzylacetone has appetite-enhancing and locomotor-reducing effects[3].
PRICE 29
DESCRIPTION Benzylacetone (4-Phenyl-2-butanone) is an aromatic compound extracted from incense wood. Benzylacetone has appetite-enhancing and exercise-reducing properties. Benzylacetone has a strong and reversible anti-mushroom tyrosinase effect, with IC50 values of 2.8 mM and 0.6 mM for monophenolase and biphenolase effects, respectively. (TargetMol Bioactive Compound Library)
Compound Sets
3
MedChem Express Bioactive Compound Library
HY-W015616
Selleckchem Bioactive Compound Library
benzylacetone
TargetMol Bioactive Compound Library
TCS1709
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
148.09
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
0
Rotatable Bonds
3
Ring Count
1
Aromatic Ring Count
1
cLogP
2.21
TPSA
17.07
Fraction CSP3
0.3
Chiral centers
0.0
Largest ring
6.0
QED
0.64
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Tyrosinase
Pathway
Metabolic Enzyme/Protease
Proteases/Proteasome
Source data