General
Preferred name
Galloylpaeoniflorin
Synonyms
6'-O-Galloyl paeoniflorin ()
P&D ID
PD166553
CAS
122965-41-7
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
1
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
8
Properties
(calculated by RDKit )
Molecular Weight
632.17
Hydrogen Bond Acceptors
15
Hydrogen Bond Donors
7
Rotatable Bonds
8
Ring Count
9
Aromatic Ring Count
2
cLogP
-0.38
TPSA
231.13
Fraction CSP3
0.53
Chiral centers
11.0
Largest ring
6.0
QED
0.15
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-κB
Source data
