General
Preferred name
LAPPACONITINE
Synonyms
(+)-Lappaconitine ()
Allapinine ()
Lappaconitine Hydrobromide ()
Lappaconite HBr ()
Lappaconite Hydrobromide ()
P&D ID
PD050065
CAS
32854-75-4
97792-45-5
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()] ]]
Description
(extracted from source data)
DESCRIPTION
Hydrobromide salt of (+)-Lappaconitine, a potential antitumor agent agent that induces HL-60 differentiation and apoptosis with analgesic activity as well.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
4
AdooQ Bioactive Compound Library
BOC Sciences Bioactive Compounds
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
13
Molecular Weight
584.31
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
3
Rotatable Bonds
7
Ring Count
7
Aromatic Ring Count
1
cLogP
2.22
TPSA
126.79
Fraction CSP3
0.75
Chiral centers
12.0
Largest ring
6.0
QED
0.41
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Membrane Transporter/Ion Channel
Target
Sodium Channel
ADC Cytotoxin,Immunology & Inflammation related
Solubility
Water, ethanol, chloroform, not well in methanol
Source data
