General
Preferred name
Ursolic acid acetate
Synonyms
3-Acetylursolic Acid ()
Acetylursolic acid ()
3Beta-O-Acetylursolic Acid ()
O-ACETYLURSOLIC ACID ()
P&D ID
PD087366
CAS
7372-30-7
Tags
available
natural product
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
7
Organisms
5
Compound Sets
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
14
Properties
(calculated by RDKit )
Molecular Weight
498.37
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
5
Aromatic Ring Count
0
cLogP
7.66
TPSA
63.6
Fraction CSP3
0.88
Chiral centers
10.0
Largest ring
6.0
QED
0.31
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Neuroscience
Target
AChE
MOA
AChR inhibitor
Source data
