General
Preferred name
Neoeriocitrin
Synonyms
P&D ID
PD119965
CAS
13241-32-2
Tags
available
natural product
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
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
596.17
Hydrogen Bond Acceptors
15
Hydrogen Bond Donors
9
Rotatable Bonds
6
Ring Count
5
Aromatic Ring Count
2
cLogP
-1.46
TPSA
245.29
Fraction CSP3
0.52
Chiral centers
11.0
Largest ring
6.0
QED
0.17
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Neuroscience
Neuronal Signaling
Target
AChE
Cholinesterase (ChE)
Source data
