General
Preferred name
OLEANONIC ACID
Synonyms
3-Oxooleanolic acid ()
3-Ketooleanolic Acid ()
3-Oxoolean-12-en-28-oic Acid ()
Oleanonic?Acid ()
3-Ketooleanolic Acid, 3-Oxooleanolic acid ()
P&D ID
PD063627
CAS
17990-42-0
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
7
Organisms
1
Compound Sets
5
DrugMAP
EU-OPENSCREEN Bioactive Compound Library
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
15
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
7.44
TPSA
54.37
Fraction CSP3
0.87
Chiral centers
7.0
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
Anti-infection
Target
HIV
MOA
HIV Protease
Source data
