General
Preferred name
COLUMBAMINE
Synonyms
Dehydroisocorypalmine ()
Columbamin ()
COLUMBAMINE CHLORIDE ()
Columbamine (chloride) ()
Columbamin (chloride) ()
Dehydroisocorypalmine (chloride) ()
P&D ID
PD087707
CAS
3621-36-1
1916-10-5
Tags
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
1
Organisms
1
Compound Sets
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
30
Properties
(calculated by RDKit )
Molecular Weight
338.14
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
4
Aromatic Ring Count
3
cLogP
3.08
TPSA
51.8
Fraction CSP3
0.25
Chiral centers
0.0
Largest ring
6.0
QED
0.75
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
