General
Preferred name
MENTHONE
Synonyms
P&D ID
PD014539
CAS
10458-14-7
89-80-5
491-07-6
14073-97-3
36977-92-1
1074-95-9
Tags
drug candidate
natural product
available
Drug Status
experimental
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
6
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
31
Properties
(calculated by RDKit )
Molecular Weight
154.14
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
0
cLogP
2.65
TPSA
17.07
Fraction CSP3
0.9
Chiral centers
2.0
Largest ring
6.0
QED
0.57
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Apoptosis
NF-??b
Immunology/Inflammation
Anti-infection
Target
TNF-??
NF-??B
IL Receptor
Parasite
DNA/RNA Synthesis
Source data
