General
Preferred name
MYRCENE
Synonyms
β-Myrcene ()
?-Myrcene ()
NSC-406264 ()
.beta.-geraniolene ()
.beta.-myrcene ()
Beta-Myrcene ()
FEMA NO. 2762 ()
P&D ID
PD080528
CAS
123-35-3
Tags
natural product
drug candidate
available
Drug Status
investigational
Max Phase
1.0
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
4
Cayman Chemical Bioactives
ChEMBL Drugs
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
27
Properties
(calculated by RDKit )
Molecular Weight
136.13
Hydrogen Bond Acceptors
0
Hydrogen Bond Donors
0
Rotatable Bonds
4
Ring Count
0
Aromatic Ring Count
0
cLogP
3.48
TPSA
0.0
Fraction CSP3
0.4
Chiral centers
0.0
Largest ring
0.0
QED
0.41
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-κB
Source data
