General
Preferred name
Calycosin-7-O-beta-D-glucoside
Synonyms
Calycosin-7-O-¦Â-D-glucoside ()
Calycosin-7-O-??-D-glucoside ()
calycosin-7-O-beta-D-glucopyranoside ()
Calycosin-7-O-??D-glucoside ()
Calycosin-7-O-β-D-glucoside ()
Calycosin-7-glucoside ()
Calycosin 7-O-?-D-Glucoside ()
P&D ID
PD052350
CAS
20633-67-4
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 ]]
Compound Sets
5
Cayman Chemical Bioactives
EU-OPENSCREEN Bioactive Compound Library
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
17
Properties
(calculated by RDKit )
Molecular Weight
446.12
Hydrogen Bond Acceptors
10
Hydrogen Bond Donors
5
Rotatable Bonds
5
Ring Count
4
Aromatic Ring Count
3
cLogP
0.35
TPSA
159.05
Fraction CSP3
0.32
Chiral centers
5.0
Largest ring
6.0
QED
0.37
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
Proteases/Proteasome
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
Target
MMP-2
MMP-9
Reactive Oxygen Species
Immunology & Inflammation related
Source data
