General
Preferred name
cineole
Synonyms
EUCALYPTOL ()
1,8-Epoxy-p-menthane ()
Eucaly ()
Eucapur ()
cajeputol ()
Eucalyptole ()
P-cineole ()
Terpan ()
Eukalyptol ()
FEMA NO. 2465 ()
NSC-6171 ()
1,8-cineol ()
1,8-Cineole ()
P&D ID
PD002333
CAS
470-82-6
10458-11-4
Tags
natural product
drug
available
Approved by
FDA
Drug indication
Discovery agent
Drug Status
investigational
approved
Max Phase
Phase 3
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 ]]
Cell lines
1
Organisms
0
Compound Sets
12
Cayman Chemical Bioactives
ChEMBL Drugs
Drug Repurposing Hub
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMatrix
Guide to Pharmacology
LSP-MoA library (Laboratory of Systems Pharmacology)
NPC Screening Collection
ReFrame library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
36
Properties
(calculated by RDKit )
Molecular Weight
154.14
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
3
Aromatic Ring Count
0
cLogP
2.74
TPSA
9.23
Fraction CSP3
1.0
Chiral centers
0.0
Largest ring
6.0
QED
0.52
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
MOA
5-HT Receptor
IL receptor
Potassium Channel
TNF Receptor
Acetylcholinesterase inhibitor
Pathway
Neuroscience
Target
5-HT
IL-1¦Â
TNF-¦Á
AChE
Indication
gingivitis
Source data
