General
Preferred name
SCOPOLIN
Synonyms
Scopoloside ()
Murrayin ()
P&D ID
PD087384
CAS
531-44-2
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 ]]
Compound Sets
4
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
354.1
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
4
Rotatable Bonds
4
Ring Count
3
Aromatic Ring Count
2
cLogP
-1.02
TPSA
138.82
Fraction CSP3
0.44
Chiral centers
5.0
Largest ring
6.0
QED
0.51
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
MOA
Others inhibitor
Pathway
Cell Cycle/DNA Damage
Epigenetics
Target
Sirtuin
Source data
