General
Preferred name
Linarin
Synonyms
ACACIIN ()
Buddleoside ()
Acacetin-7-O-rutinoside ()
Linarine ()
Buddleoflavonoloside ()
Acaciin, Buddleoside, Acacetin-7-O-rutinoside ()
P&D ID
PD087864
CAS
480-36-4
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 ]]
Cell lines
2
Organisms
0
Compound Sets
4
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
19
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)
Pathway
PI3K/Akt/mTOR signaling
Apoptosis
Neuronal Signaling
Target
TNF-?? inhibitor
TNF-¦Á inhibitor
Cholinesterase (ChE)
Immunology & Inflammation related
MOA
TNF
Source data
