General
Preferred name
SPIRAEOSIDE
Synonyms
Quercetin 4′-O-glucoside ()
P&D ID
PD166756
CAS
20229-56-5
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 ]]
Cell lines
0
Organisms
1
Compound Sets
1
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
32
Properties
(calculated by RDKit )
Molecular Weight
464.1
Hydrogen Bond Acceptors
12
Hydrogen Bond Donors
8
Rotatable Bonds
4
Ring Count
4
Aromatic Ring Count
3
cLogP
-0.54
TPSA
210.51
Fraction CSP3
0.29
Chiral centers
5.0
Largest ring
6.0
QED
0.24
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
Target
Reactive Oxygen Species
Source data
