General
Preferred name
PD011312
Synonyms
3-demethylcolchicine ()
3-DESMETHYLCOLCHICIN ()
3-demethyl Colchicine ()
P&D ID
PD011312
CAS
7336-33-6
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 ]]
Cell lines
3
Organisms
0
Compound Sets
4
Cayman Chemical Bioactives
MedChem Express Bioactive Compound Library
NIH Mechanistic Set
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
385.15
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
2
Rotatable Bonds
4
Ring Count
3
Aromatic Ring Count
2
cLogP
2.57
TPSA
94.09
Fraction CSP3
0.33
Chiral centers
1.0
Largest ring
7.0
QED
0.84
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
Target
Reactive Oxygen Species
Source data
