General
Preferred name
Aloeresin D
Synonyms
P&D ID
PD125674
CAS
105317-67-7
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
2
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
7
Properties
(calculated by RDKit )
Molecular Weight
556.19
Hydrogen Bond Acceptors
11
Hydrogen Bond Donors
5
Rotatable Bonds
8
Ring Count
4
Aromatic Ring Count
3
cLogP
1.52
TPSA
176.12
Fraction CSP3
0.38
Chiral centers
6.0
Largest ring
6.0
QED
0.2
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Neuroscience
Neuronal Signaling
Target
BACE1
Beta-secretase
Source data
