General
Preferred name
REYNOUTRIN
Synonyms
Reinutrin ()
Quercetin-3-D-xyloside ()
Quercetin 3-O-?-D-xylopyranoside ()
P&D ID
PD117544
CAS
549-32-6
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Reynoutrin (Quercetin-3-D-xyloside) is a flavonoid from Psidium cattleianum, with antioxidant and radical-scavenging activity[1].
PRICE 175
DESCRIPTION Reynoutrin (Reinutrin) with antioxidant and radical-scavenging activity. (TargetMol Bioactive Compound Library)
Compound Sets
4
Cayman Chemical Bioactives
Drug Repurposing Hub
MedChem Express Bioactive Compound Library
TargetMol Bioactive Compound Library
External IDs
17
Properties
(calculated by RDKit )
Molecular Weight
434.08
Hydrogen Bond Acceptors
11
Hydrogen Bond Donors
7
Rotatable Bonds
3
Ring Count
4
Aromatic Ring Count
3
cLogP
0.1
TPSA
190.28
Fraction CSP3
0.25
Chiral centers
4.0
Largest ring
6.0
QED
0.28
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
Metabolism
Target
Reactive Oxygen Species
Reactive Oxygen Species (ROS)
MOA
Antioxidant
Source data