General
Preferred name
Okanin
Synonyms
PMID27841045-Compound-156 ()
P&D ID
PD158118
CAS
484-76-4
Tags
drug candidate
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
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
24
Properties
(calculated by RDKit )
Molecular Weight
288.06
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
5
Rotatable Bonds
3
Ring Count
2
Aromatic Ring Count
2
cLogP
2.11
TPSA
118.22
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.34
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Immunology/Inflammation
NF-??b
NF-κB
Target
TLR4
NF-??B
Toll-like Receptor (TLR)
Source data
