General
Preferred name
Scopine
Synonyms
Scopine (hydrochloride) ()
6,7-Epoxytropine ()
6,7-Epoxytropine hydrochloride ()
P&D ID
PD010698
CAS
498-45-3
85700-55-6
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Scopine hydrochloride (6,7-Epoxytropine hydrochloride) is the metabolite of anisodine, which is a ¦Á1-adrenergic receptor agonist and used in the treatment of acute circulatory shock.
DESCRIPTION Scopine is the metabolite of anisodine, which is a ¦Á1-adrenergic receptor agonist and used in the treatment of acute circulatory shock. ;Target: ¦Á1-Adrenergic Receptor;Scopine is a tropane alkaloid found in a variety of plants including Mandragora root, Senecio mikanoides (Delairea odorata), Scopolia carniolica and Scopolia lurida. Scopine can be prepared by the hydrolysis of scopolamine. From Wikipedia.
Compound Sets
3
Drug Repurposing Hub
MedChem Express Bioactive Compound Library
HY-B0459A
HY-B0459
Selleckchem Bioactive Compound Library
scopine
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
155.09
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
3
Aromatic Ring Count
0
cLogP
-0.41
TPSA
36.0
Fraction CSP3
1.0
Chiral centers
5.0
Largest ring
6.0
QED
0.48
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
MOA
Adrenergic Receptor agonist
Target
¦Á1-adrenergic receptor
Drug Metabolite
Adrenergic Receptor
Pathway
Metabolic Enzyme/Protease
GPCR/G protein
Neuronal Signaling
Source data