General
Preferred name
EUPATORIN
Synonyms
P&D ID
PD041169
CAS
855-96-9
Tags
nuisance
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 ]]
Cell lines
2
Organisms
0
Compound Sets
4
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
344.09
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
2
Rotatable Bonds
4
Ring Count
3
Aromatic Ring Count
3
cLogP
2.9
TPSA
98.36
Fraction CSP3
0.17
Chiral centers
0.0
Largest ring
6.0
QED
0.75
Structural alerts
1
Nonspecific/NOS
Flavonoid
Nuisance compounds in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Immunology/Inflammation
Apoptosis
Target
CYP1
MOA
P450 inhibitor
Source data
