General
Preferred name
Demethyleneberberine
Synonyms
Demethyleneberberine (chloride) ()
DMB ()
P&D ID
PD087557
CAS
25459-91-0
16705-03-6
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Demethyleneberberine is a natural mitochondria-targeted antioxidant. Demethyleneberberine alleviates mice colitis and inhibits the inflammatory responses by inhibiting NF-¦ÊB pathway and regulating the balance of Th cells. Demethyleneberberine could serve as a AMPK activator for treating non-alcoholic fatty liver disease (NAFLD)[1][2][3].
PRICE 157
DESCRIPTION Demethyleneberberine, which is composed of a potential antioxidant structure, could penetrate the membrane of mitochondria and accumulate in mitochondria either in vitro or in vivo.Demethyleneberberine suppresses CYP2E1, hypoxia inducible factor ??, and inducible nitric oxide synthase, which contributes to oxidative stress and restored sirtuin 1/AMP-activated protein kinase/peroxisome proliferator-activated receptor-?? coactivator-1?? pathway-associated fatty acid oxidation in chronic ethanol-fed mice.
DESCRIPTION Demethyleneberberine, which is composed of a potential antioxidant structure, could penetrate the membrane of mitochondria and accumulate in mitochondria either in vitro or in vivo.Demethyleneberberine suppresses CYP2E1, hypoxia inducible factor α, and inducible nitric oxide synthase, which contributes to oxidative stress and restored sirtuin 1/AMP-activated protein kinase/peroxisome proliferator-activated receptor-γ coactivator-1α pathway-associated fatty acid oxidation in chronic ethanol-fed mice. (TargetMol Bioactive Compound Library)
Compound Sets
4
Cayman Chemical Bioactives
43099
MedChem Express Bioactive Compound Library
HY-N0592A
Selleckchem Bioactive Compound Library
demethyleneberberine
TargetMol Bioactive Compound Library
T4S0800
External IDs
23
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)
Target
AMPK
CYP17
HIF
NF-κB
NOS
NF-¦ÊB
AMPK,Interleukins,NF-¦ÊB,Peroxidases,TNF-alpha
MOA
P450
Pathway
Angiogenesis
Chromatin/Epigenetic
Immunology/Inflammation
Metabolism
PI3K/Akt/mTOR signaling
Epigenetics
PI3K/Akt/mTOR
Source data