General
Preferred name
LINALOOL
Synonyms
Phantol ()
(??)-Linalool ()
Linalol ()
(¡À)-Linalool ()
Phantol(¡À)-Linalool ()
(-)-Linalool ()
(±)-Linalool ()
(±)-Linalool-d3 ()
P&D ID
PD048658
CAS
78-70-6
126-90-9
11024-20-7
126-91-0
22564-99-4
1216673-02-7
Tags
available
natural product
drug candidate
Drug indication
Discovery agent
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 Linalool is a phytochemical. It enhances the agonist activity of the cannabinoid agonist at CB receptors . (GtoPdb)
Cell lines
1
Organisms
0
Compound Sets
8
AdooQ Bioactive Compound Library
A14858
Cayman Chemical Bioactives
21575
9004273
DrugMAP
DMGZQ5P
Guide to Pharmacology
2469
MedChem Express Bioactive Compound Library
HY-N0368
ReFrame library
Selleckchem Bioactive Compound Library
linalool
TargetMol Bioactive Compound Library
T2S2264
External IDs
39
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
1.0
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
NF-??b
NF-¦ªb
Anti-infection
Membrane Transporter/Ion Channel
Metabolic Enzyme/Protease
Neuronal Signaling
Target
TNF-??
IL-6
TNF-¦Á
Bacterial
Endogenous Metabolite
iGluR
TNF Receptor
NMDAR
MOA
TNF inhibitor
Source data