General
Preferred name
NEROL
Synonyms
Cis-Geraniol ()
Neryl alcohol ()
Cis-Geraniol, Neryl alcohol ()
P&D ID
PD088309
CAS
106-25-2
106-24-1
624-15-7
Tags
available
drug
Drug Status
approved
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 Nerol is a constituent of neroli oil. Nerol Nerol triggers mitochondrial dysfunction and induces apoptosis via elevation of Ca2+ and ROS. Antifungal activity[1][2].
PRICE 29
DESCRIPTION Nerol (Neryl alcohol) is a monoterpene found in many essential oils, such as lemon balm and hop.Nerol can lessened the severity of ouabain-triggered arrhythmias in mammalian heart. (TargetMol Bioactive Compound Library)
Compound Sets
6
Cayman Chemical Bioactives
25774
Enamine Bioactive Compounds
EBC-47153
MedChem Express Bioactive Compound Library
HY-N7063
NCATS Inxight Approved Drugs
38G5P53250
Selleckchem Bioactive Compound Library
nerol
TargetMol Bioactive Compound Library
T5645
External IDs
41
Properties
(calculated by RDKit )
Molecular Weight
154.14
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
0
Aromatic Ring Count
0
cLogP
2.67
TPSA
20.23
Fraction CSP3
0.6
Chiral centers
0.0
Largest ring
0.0
QED
0.62
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Apoptosis
Immunology/Inflammation
Metabolism
Microbiology/virology
NF-κB
NF-¦ÊB
Anti-infection
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Environmental Pollutants
Fungal
Mitochondrial Metabolism
Reactive Oxygen Species (ROS)
Fungal,ROS
Reactive Oxygen Species
Source data