General
Preferred name
oleanolic acid
Synonyms
OLEANOLIC_ACID ()
Caryophyllin ()
Oleanic acid ()
Astrantiagenin C, (+)-Oleanolic acid ()
NSC-114945 ()
P&D ID
PD012042
CAS
508-02-1
Tags
drug candidate
natural product
probe
available
Drug indication
Discovery agent
Probe info
Probe selectivity
protein-selective
Probe type
P&D approved
calculated probe
Probe sources
High-quality chemical probes
Probe Miner (suitable probes)
Probe targets
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Cell lines
26
Organisms
9
Compound Sets
17
AdooQ Bioactive Compound Library
A10668
Cayman Chemical Bioactives
11726
Concise Guide to Pharmacology 2017/18
3306
Concise Guide to Pharmacology 2019/20
3306
Concise Guide to Pharmacology 2021/22
3306
Concise Guide to Pharmacology 2023/24
3306
Drug Repurposing Hub
DrugMAP
DMWDMJ3
Enamine BioReference Compounds
EU-OPENSCREEN Bioactive Compound Library
EOS100787
Guide to Pharmacology
3306
High-quality chemical probes
PD012042
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL168
MedChem Express Bioactive Compound Library
HY-N0156
Novartis Chemogenetic Library (NIBR MoA Box)
Probe Miner (suitable probes)
P13726/492732
TargetMol Bioactive Compound Library
T2865
External IDs
34
Properties
(calculated by RDKit )
Molecular Weight
456.36
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
5
Aromatic Ring Count
0
cLogP
7.23
TPSA
57.53
Fraction CSP3
0.9
Chiral centers
8.0
Largest ring
6.0
QED
0.41
QED
0.41
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Microbiology&virology
Anti-infection
Autophagy
Metabolic Enzyme/Protease
Target
antibiotic
GPBAR1
Endogenous Metabolite
HIV
MOA
Antibiotic
Insulin Secretagogues
Secretory Phospholipase A2 (sPLA2) Inhibitors
LDL Antioxidants
G-Protein Coupled Bile Acid Receptor 1 Agonists
Protein Tyrosine Phosphatase PTP-1B Inhibitors
G protein-coupled receptor agonist
Member status
member
Source data