General
Preferred name
Maackiain
Synonyms
Demethylpterocarpin(+)-Maackiain ()
(-?)?-Maackiain ()
(+/-)-Maackiain ()
P&D ID
PD124197
CAS
2035-15-6
Tags
available
drug candidate
Drug indication
Discovery agent
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 (-)-Maackiain is a pterocarpan phytoalexin produced from Sophora flavescens. (-)-Maackiain is toxic to several genera of fungal pathogens of legume and non legume hosts. (-)-Maackiain enhances the activation of NLRP3 inflammasome, inhibits the activation of NF-¦ÊB pathway, exhibiting thereby immunostimulatory and anti-inflammatory activities. (-)-Maackiain is orally active[1][2].
Cell lines
2
Organisms
0
Compound Sets
4
Cayman Chemical Bioactives
40215
DrugMAP
DMDHGM2
MedChem Express Bioactive Compound Library
HY-N6051
Selleckchem Bioactive Compound Library
-maackiain
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
284.07
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
5
Aromatic Ring Count
2
cLogP
2.73
TPSA
57.15
Fraction CSP3
0.25
Chiral centers
2.0
Largest ring
6.0
QED
0.81
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Fungal
NF-κB
NOD-like Receptor (NLR)
Pathway
Anti-infection
Immunology/Inflammation
NF-¦ÊB
Source data