General
Preferred name
PD158172
Synonyms
13,21-Dihydroeurycomanone ()
P&D ID
PD158172
CAS
129587-06-0
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
1
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
8
Properties
(calculated by RDKit )
Molecular Weight
410.16
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
5
Rotatable Bonds
0
Ring Count
5
Aromatic Ring Count
0
cLogP
-1.75
TPSA
153.75
Fraction CSP3
0.8
Chiral centers
11.0
Largest ring
6.0
QED
0.29
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Target
Parasite
Source data
