General
Preferred name
JUGLANIN
Synonyms
P&D ID
PD100209
CAS
5041-67-8
Tags
natural product
available
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
2
Organisms
0
Compound Sets
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
13
Properties
(calculated by RDKit )
Molecular Weight
418.09
Hydrogen Bond Acceptors
10
Hydrogen Bond Donors
6
Rotatable Bonds
4
Ring Count
4
Aromatic Ring Count
3
cLogP
0.39
TPSA
170.05
Fraction CSP3
0.25
Chiral centers
4.0
Largest ring
6.0
QED
0.35
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Apoptosis
Autophagy
MAPK
MAPK/ERK Pathway
Target
JNK
Source data
