General
Preferred name
QUERCITRIN
Synonyms
Quercetin 3-rhamnoside ()
3-rhamnosyl quercetin ()
Sophoretin ()
Meletin ()
Xanthaurine ()
3-rhamnosyl quercetin, Sophoretin, Meletin, Xanthaurine ()
P&D ID
PD043877
CAS
522-12-3
Tags
natural product
drug candidate
nuisance
available
Drug indication
Discovery agent
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
3
Compound Sets
6
Cayman Chemical Bioactives
DrugMAP
MedChem Express Bioactive Compound Library
Nuisance compounds in cellular assays
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
41
Properties
(calculated by RDKit )
Molecular Weight
448.1
Hydrogen Bond Acceptors
11
Hydrogen Bond Donors
7
Rotatable Bonds
3
Ring Count
4
Aromatic Ring Count
3
cLogP
0.49
TPSA
190.28
Fraction CSP3
0.29
Chiral centers
5.0
Largest ring
6.0
QED
0.28
Structural alerts
1
Nonspecific/NOS
Flavonoid
Nuisance compounds in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
Immunology/Inflammation
Apoptosis
Autophagy
MAPK/ERK Pathway
Metabolic Enzyme/Protease
NF-κB
Target
Reactive Oxygen Species
Ribosomal S6 Kinase (RSK)
Immunology & Inflammation related
Source data
