General
Preferred name
LINALYL ACETATE
Synonyms
Bergamiol, Bergamol, Linalool acetate ()
P&D ID
PD127201
CAS
115-95-7
151863-24-0
16509-46-9
51685-40-6
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 Linalyl acetate is the principal components of many plant essential oils. Linalyl acetate exhibits anti-anxiety, anti-inflammatory, anti-diabetic, anti-stress, and cardiovascular-regulatory effects. Linalyl acetate is orally active[1][2][3][4].
PRICE 29
DESCRIPTION Linalyl Acetate is a natural product (TargetMol Bioactive Compound Library)
Compound Sets
3
MedChem Express Bioactive Compound Library
HY-N6948
Selleckchem Bioactive Compound Library
linalyl-acetate
TargetMol Bioactive Compound Library
T7930
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
196.15
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
5
Ring Count
0
Aromatic Ring Count
0
cLogP
3.24
TPSA
26.3
Fraction CSP3
0.58
Chiral centers
1.0
Largest ring
0.0
QED
0.5
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Lactate Dehydrogenase
Immunology & Inflammation related
Pathway
Metabolic Enzyme/Protease
Source data