General
Preferred name
SESAMOLIN
Synonyms
P&D ID
PD018090
CAS
526-07-8
Tags
natural product
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
4
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
20
Properties
(calculated by RDKit )
Molecular Weight
370.11
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
0
Rotatable Bonds
3
Ring Count
6
Aromatic Ring Count
2
cLogP
2.88
TPSA
64.61
Fraction CSP3
0.4
Chiral centers
4.0
Largest ring
6.0
QED
0.82
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
MAPK
Proteases/Proteasome
Apoptosis
MAPK/ERK Pathway
Target
p38 MAPK
caspase-3
JNK
MOA
Caspase
Source data
