General
Preferred name
Violanthin
Synonyms
P&D ID
PD125038
CAS
40581-17-7
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
1
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
14
Properties
(calculated by RDKit )
Molecular Weight
578.16
Hydrogen Bond Acceptors
14
Hydrogen Bond Donors
10
Rotatable Bonds
4
Ring Count
5
Aromatic Ring Count
3
cLogP
-1.37
TPSA
250.97
Fraction CSP3
0.44
Chiral centers
10.0
Largest ring
6.0
QED
0.17
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Neuronal Signaling
Target
Cholinesterase (ChE)
Source data
