General
Preferred name
OLEANONIC ACID
Synonyms
3-Oxooleanolic acid ()
3-Oxoolean-12-en-28-oic Acid ()
Oleanonic Acid ()
3-Ketooleanolic Acid ()
3-Ketooleanolic Acid, 3-Oxooleanolic acid ()
P&D ID
PD063627
CAS
17990-42-0
Tags
available
drug candidate
Drug indication
Discovery agent
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 29
DESCRIPTION Oleanonic acid (3-Oxooleanolic acid) is an orally available triterpene that has anti-inflammatory and insecticidal properties. In vitro, oleanonic acid can improve oxidative stress, autophagy defects, ferroptosis, mitochondrial damage, and endoplasmic reticulum stress induced by Amyloid-¦Â, and in vivo, it can alleviate myocardial hypertrophy in rats[1][2][3][4][5].
DESCRIPTION Oleanonic acid (3-Ketooleanolic Acid) is relatively non-toxic, hepatoprotective, and exhibits antitumor and andantiviral properties. (TargetMol Bioactive Compound Library)
Cell lines
8
Organisms
1
Compound Sets
5
DrugMAP
EU-OPENSCREEN Bioactive Compound Library
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
External IDs
18
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
Custom attributes
(extracted from source data)
Target
HIV
Amyloid-β
Autophagy
Ferroptosis
Amyloid-¦Â
MOA
HIV Protease
Pathway
Microbiology/virology
Proteases/Proteasome
Anti-infection
Apoptosis
Neuronal Signaling
Source data