General
Preferred name
Demethyleneberberine
Synonyms
Demethyleneberberine (chloride) ()
DMB ()
P&D ID
PD087557
CAS
25459-91-0
16705-03-6
Tags
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
3
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
21
Properties
(calculated by RDKit )
Molecular Weight
324.12
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
4
Aromatic Ring Count
3
cLogP
2.78
TPSA
62.8
Fraction CSP3
0.21
Chiral centers
0.0
Largest ring
6.0
QED
0.56
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Angiogenesis
Immunology/Inflammation
Epigenetics
NF-κB
PI3K/Akt/mTOR
Target
CYP17
HIF
NOS
NF-¦ÊB
AMPK
AMPK,Interleukins,NF-¦ÊB,Peroxidases,TNF-alpha
MOA
P450
Source data
