General
Preferred name
URSONIC ACID
Synonyms
3-Ketoursolic acid ()
Prunol ()
Malol ()
NSC4060 ()
CCRIS 7123 ()
TOS-BB-0966 ()
Prunol, Malol, beta-Ursolic acid, NSC4060, CCRIS 7123, TOS-BB-0966, 3-beta-hydroxyurs-12-en-28-oic acid ()
3-keto Ursolic Acid ()
P&D ID
PD063624
CAS
6246-46-4
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 ]]
Cell lines
6
Organisms
1
Compound Sets
4
Cayman Chemical Bioactives
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
16
Properties
(calculated by RDKit )
Molecular Weight
454.34
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
5
Aromatic Ring Count
0
cLogP
7.3
TPSA
54.37
Fraction CSP3
0.87
Chiral centers
9.0
Largest ring
6.0
QED
0.42
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Microbiology/virology
Proteases/Proteasome
Apoptosis
Metabolic Enzyme/Protease
Target
HIV-1 protease
Endogenous Metabolite
Source data
