General
Preferred name
CITRONELLOL
Synonyms
dihydrogeraniol, (±)-β-Citronellol ()
(¡À)-Citronellol ()
(¡À)-¦Â-Citronellol ()
dihydrogeraniol, (??)-??Citronellol ()
(±)-Citronellol ()
(±)-β-Citronellol ()
dihydrogeraniol, (¡À)-¦Â-Citronellol ()
DL-citronellol ()
P&D ID
PD056738
CAS
26489-01-0
1117-61-9
106-22-9
7540-51-4
Tags
natural product
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
3
DrugMatrix
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
30
Properties
(calculated by RDKit )
Molecular Weight
156.15
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
0
Aromatic Ring Count
0
cLogP
2.75
TPSA
20.23
Fraction CSP3
0.8
Chiral centers
1.0
Largest ring
0.0
QED
0.61
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
Target
Reactive Oxygen Species
Apoptosis related,Caspase,RIP kinase,ROS,TNF-alpha
Source data
