General
Preferred name
BOLDINE
Synonyms
1,10-Dimethoxy-2,9-dihydroxyaporphine ()
ex Peumus boldus ()
1, 10-Dimethoxy-2, 9-dihydroxyaporphine ()
(S)-(+)-Boldine ()
(+)-Boldine ()
P&D ID
PD017294
CAS
476-70-0
Tags
available
drug candidate
Drug indication
Discovery agent
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
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
26
Properties
(calculated by RDKit )
Molecular Weight
327.15
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
4
Aromatic Ring Count
2
cLogP
2.87
TPSA
62.16
Fraction CSP3
0.37
Chiral centers
1.0
Largest ring
6.0
QED
0.89
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
OPG/RANKL/RANK
Apoptosis
NF-κB
Target
OPG
RANKL
RANK
RANKL/RANK
Adrenergic Receptor
Source data
