General
Preferred name
PD046921
Synonyms
3beta-Hydroxy-20(29)-lupene ()
P&D ID
PD046921
Tags
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()] ]]
Description
(extracted from source data)
DESCRIPTION
Oral administration of Lupeol to dextran sulfate sodium (DSS)-induced colitis mice reduced intestinal inflammation and increased survival. This was associated with decreased expression of M1-related genes and increased expression of M2-related genes. Lupeol ameliorates experimental inflammatory bowel disease, at least in part, through inhibiting M1 and promoting M2 macrophages . Similar results were simultaneously published in a different journal . Note there are many isomers of this structure that can be found using the "same connectivity" operator in the PubChem CID entry.
(GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
1
Guide to Pharmacology
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
5
Molecular Weight
426.39
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
5
Aromatic Ring Count
0
cLogP
8.02
TPSA
20.23
Fraction CSP3
0.93
Chiral centers
10.0
Largest ring
6.0
QED
0.42
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
