General
Preferred name
CANADINE
Synonyms
(S)-(-)-Tetrahydroberberine ()
(-)-Canadine ()
(S)-(-)-Canadine ()
(-)-Tetrahydroberberine ()
(S)-Canadine ()
P&D ID
PD151162
CAS
5096-57-1
Tags
available
natural product
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
0
Organisms
2
Compound Sets
2
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
339.15
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
0
Rotatable Bonds
2
Ring Count
5
Aromatic Ring Count
2
cLogP
3.09
TPSA
40.16
Fraction CSP3
0.4
Chiral centers
1.0
Largest ring
6.0
QED
0.84
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
