General
Preferred name
ASTRAGALIN
Synonyms
Kaempferol 3-¦Â-D-glucopyranoside ()
3-Glucosylkaempferol ()
Kaempferol 3-??-D-glucopyranoside ()
Astragaline ()
Kaempferol-3-glucoside ()
Kaempferol 3-O-glucoside ()
Kaempferol 3-D-glucoside ()
Kaempferol 3-??D-glucopyranoside ()
Kaempferol 3-β-D-glucopyranoside ()
kaempferol-3-glucoside, Kaempferol 3-O-glucoside, Kaempferol 3-D-glucoside ()
P&D ID
PD063634
CAS
480-10-4
Tags
natural product
drug candidate
probe
available
Drug indication
Discovery agent
Probe info
Probe selectivity
protein-selective
Probe type
calculated probe
Probe sources
Probe targets
[[ compound.targets[t].gene_name ]]
Probe control
Probe control not defined
Orthogonal probes
8
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
6
Organisms
2
Compound Sets
6
Cayman Chemical Bioactives
DrugMAP
MedChem Express Bioactive Compound Library
Probe Miner (suitable probes)
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
34
Properties
(calculated by RDKit )
Molecular Weight
448.1
Hydrogen Bond Acceptors
11
Hydrogen Bond Donors
7
Rotatable Bonds
4
Ring Count
4
Aromatic Ring Count
3
cLogP
-0.24
TPSA
190.28
Fraction CSP3
0.29
Chiral centers
5.0
Largest ring
6.0
QED
0.28
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-??b
Immunology/Inflammation
Apoptosis
NF-κB
Target
NF-??B
Immunology & Inflammation related
Source data
