General
Preferred name
LUPEOL
Synonyms
(3β,13ξ)-Lup-20(29)-en-3-ol, Clerodol, Monogynol B, Fagarasterol, Farganasterol ()
(3??13??-Lup-20(29)-en-3-ol, Clerodol, Monogynol B, Fagarasterol, Farganasterol ()
Clerodol ()
Monogynol B ()
Fagarasterol ()
(3??,13??)-Lup-20(29)-en-3-ol, Clerodol, Monogynol B, Fagarasterol, Farganasterol ()
Farganasterol ()
P&D ID
PD011657
CAS
545-47-1
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
investigational
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
5
Compound Sets
6
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
31
Properties
(calculated by RDKit )
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)
Pathway
Apoptosis
Vitamin D Related/Nuclear Receptor
Target
Androgen Receptor
Immunology & Inflammation related
Source data
