General
Preferred name
Maackiain
Synonyms
Demethylpterocarpin ()
(+)-MAACKIAIN ()
Demethylpterocarpin(+)-Maackiain ()
(-?)?-Maackiain ()
(-)-Maackiain ()
(+/-)-Maackiain ()
L-Maackiain ()
P&D ID
PD124197
CAS
19908-48-6
2035-15-6
Tags
drug candidate
natural product
available
Drug indication
Discovery agent
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 ]]
Cell lines
2
Organisms
0
Compound Sets
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
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)
Pathway
Apoptosis
Anti-infection
Target
Fungal
Source data
