General
Preferred name
GENIPOSIDIC ACID
Synonyms
P&D ID
PD011966
CAS
27741-01-1
Tags
natural product
available
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 ]]
Compound Sets
5
Cayman Chemical Bioactives
Drug Repurposing Hub
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
21
Properties
(calculated by RDKit )
Molecular Weight
374.12
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
6
Rotatable Bonds
5
Ring Count
3
Aromatic Ring Count
0
cLogP
-2.32
TPSA
166.14
Fraction CSP3
0.69
Chiral centers
8.0
Largest ring
6.0
QED
0.29
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Immunology/Inflammation
Apoptosis
Metabolic Enzyme/Protease
MOA
cyclooxygenase inhibitor
Target
Endogenous Metabolite
Immunology & Inflammation related
Source data
