General
Preferred name
PROCYANIDIN B2
Synonyms
(-)-Procyanidin B4 ()
Proanthocyanidin B2 ()
PROCYANIDIN B1 ()
Procyanidin B3 ()
Procyanidol B4 ()
[(-)-Epicatechin-(-)-epicatechin] ()
PCB2 ()
Procyanidin B1 ()
Procyanidin B4 ()
P&D ID
PD044183
CAS
23567-23-9
71328-22-8
15514-06-4
35356-34-4
20315-25-7
29106-49-8
29106-51-2
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Compound Sets
7
AdooQ Bioactive Compound Library
A12098
A12097
A12688
Cayman Chemical Bioactives
19865
22411
36398
Drug Repurposing Hub
MedChem Express Bioactive Compound Library
HY-N0796
HY-N0795
HY-N2345
HY-107208
ReFrame library
Selleckchem Bioactive Compound Library
procyanidin-b2
TargetMol Bioactive Compound Library
T6S1367
TQ0205
TN1150
External IDs
124
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
Chromatin/Epigenetic
Metabolic Enzyme/Protease
NF-κB
Epigenetics
Vitamin D Related/Nuclear Receptor
Target
TLR4/MD-2
Histone Acetyltransferase
NLRP3
Toll-like Receptor (TLR)
Reactive Oxygen Species
Androgen Receptor
NLRP3,PPAR
Source data