General
Preferred name
PROCYANIDIN B2
Synonyms
Proanthocyanidin B2 ()
PCB2 ()
P&D ID
PD044184
CAS
29106-49-8
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
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
28
Properties
(calculated by RDKit )
Molecular Weight
578.14
Hydrogen Bond Acceptors
12
Hydrogen Bond Donors
10
Rotatable Bonds
3
Ring Count
6
Aromatic Ring Count
4
cLogP
3.0
TPSA
220.76
Fraction CSP3
0.2
Chiral centers
5.0
Largest ring
6.0
QED
0.16
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
Target
NLRP3
Reactive Oxygen Species
NLRP3,PPAR
Source data
