General
Preferred name
PD125596
Synonyms
11-Keto-beta-boswellic acid ()
11-Keto-¦Â-boswellic acid ()
11-keto-beta-boswellicacid ()
11-?Keto-?beta-?boswellic acid ()
11-Keto-β-boswellic acid ()
11-KETO BOSWELLIC ACID ()
P&D ID
PD125596
CAS
17019-92-0
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
4
Organisms
0
Compound Sets
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
17
Properties
(calculated by RDKit )
Molecular Weight
470.34
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
5
Aromatic Ring Count
0
cLogP
6.27
TPSA
74.6
Fraction CSP3
0.87
Chiral centers
11.0
Largest ring
6.0
QED
0.47
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
NF-??b
GPCR/G protein
Metabolic Enzyme/Protease
NF-κB
Target
5-LOX
NF-??B
Leukotriene Receptor
NF-¦ÊB
Lipoxygenase
Source data
