General
Preferred name
MORRONISIDE
Synonyms
(7Beta-Hydroxy)-Morroniside ()
P&D ID
PD088237
CAS
25406-64-8
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
3
Cayman Chemical Bioactives
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
13
Properties
(calculated by RDKit )
Molecular Weight
406.15
Hydrogen Bond Acceptors
11
Hydrogen Bond Donors
5
Rotatable Bonds
4
Ring Count
3
Aromatic Ring Count
0
cLogP
-2.42
TPSA
164.37
Fraction CSP3
0.82
Chiral centers
10.0
Largest ring
6.0
QED
0.32
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Apoptosis
Immunology/Inflammation
Metabolic Enzyme/Protease
Target
MMP
Pyroptosis
MMP,Pyroptosis
Source data
