General
Preferred name
ARCTIIN
Synonyms
Arctigenin-4-glucoside ()
NSC 315527 ()
Arctii ()
Arctigenin-4-Glucoside, NSC 315527 ()
P&D ID
PD018678
CAS
20362-31-6
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 ]]
Cell lines
0
Organisms
1
Compound Sets
4
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
20
Properties
(calculated by RDKit )
Molecular Weight
534.21
Hydrogen Bond Acceptors
11
Hydrogen Bond Donors
4
Rotatable Bonds
10
Ring Count
4
Aromatic Ring Count
2
cLogP
0.47
TPSA
153.37
Fraction CSP3
0.52
Chiral centers
7.0
Largest ring
6.0
QED
0.31
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Target
AdipoR
Source data
