General
Preferred name
BETA-CARYOPHYLLENE
Synonyms
(?)-¦Â-caryophyllene ()
(-)-(E)-Caryophyllene ()
(?)-??-caryophyllene ()
(?)-trans-Caryophyllene ()
??-Caryophyllene ()
??Caryophyllene ()
(?)-??caryophyllene ()
(-)-(E)-Caryophyllene(?)-¦Â-caryophyllene(?)-trans-Caryophyllene ()
β-Caryophyllene ()
(?)-β-caryophyllene ()
¦Â-Caryophyllene ()
Beta-Caryophylene ()
Trans-.beta.-caryophyllene ()
Caryophyllene ()
FEMA NO. 2252 ()
(-)-trans-caryophyllene ()
NSC-11906 ()
Trans-caryophyllene ()
.beta.-caryophyllene ()
P&D ID
PD062784
CAS
87-44-5
Tags
drug candidate
natural product
available
Drug indication
Pain
Drug Status
investigational
Max Phase
Phase 1
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
0
Organisms
2
Compound Sets
7
ChEMBL Drugs
Drug Repurposing Hub
DrugMAP
MedChem Express Bioactive Compound Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
31
Properties
(calculated by RDKit )
Molecular Weight
204.19
Hydrogen Bond Acceptors
0
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
0
cLogP
4.73
TPSA
0.0
Fraction CSP3
0.73
Chiral centers
2.0
Largest ring
9.0
QED
0.5
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
GPCR/G protein
Metabolic Enzyme/Protease
Neuronal Signaling
Target
CB2
AChE
Cannabinoid Receptor
Endogenous Metabolite
Immunology & Inflammation related
MOA
Cannabinoid Receptor agonist
Acetylcholinesterase inhibitor
Source data
