General
Preferred name
Linarin
Synonyms
Buddleoside ()
Linarine ()
Buddleoflavonoloside ()
P&D ID
PD098723
CAS
480-36-4
20633-93-6
Tags
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 ]]
Cell lines
0
Organisms
1
Compound Sets
1
Other bioactive compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
9
Properties
(calculated by RDKit )
Molecular Weight
592.18
Hydrogen Bond Acceptors
14
Hydrogen Bond Donors
7
Rotatable Bonds
7
Ring Count
5
Aromatic Ring Count
3
cLogP
-0.8
TPSA
217.97
Fraction CSP3
0.46
Chiral centers
10.0
Largest ring
6.0
QED
0.18
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
MOA
TNF
Pathway
PI3K/Akt/mTOR signaling
Apoptosis
Target
TNF-¦Á inhibitor
Source data
