General
Preferred name
Praeruptorin D
Synonyms
Lobetyolin ()
P&D ID
PD098241
CAS
136085-37-5
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
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
8
Properties
(calculated by RDKit )
Molecular Weight
396.18
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
6
Rotatable Bonds
8
Ring Count
1
Aromatic Ring Count
0
cLogP
-1.56
TPSA
139.84
Fraction CSP3
0.6
Chiral centers
7.0
Largest ring
6.0
QED
0.16
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
NF-¦ÊB
Immunology/Inflammation
Target
Reactive Oxygen Species
Immunology & Inflammation related
Source data
