General
Preferred name
DEHYDROEVODIAMINE
Synonyms
DHED ()
Dehydroevodiamine hydrochloride ()
dehydroevodiamine HCl ()
Dehydroevodiamine (hydrochloride) ()
DEHYDROEVODIAMINE CHLORIDE ()
P&D ID
PD087197
CAS
75853-60-0
67909-49-3
111664-82-5
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 Dehydroevodiamine hydrochloride is isolated from the leaves of Evodia rutaecarpa[1].
PRICE 41
DESCRIPTION Dehydroevodiamine is a major bioactive quinazoline alkaloid isolated from Evodiae Fructus, has an antiarrhythmic effect in guinea-pig ventricular myocytes[1]. Dehydroevodiamine inhibits LPS-induced iNOS, COX-2, prostaglandin E2 (PGE2) and nuclear factor-kappa B (NF-¦ÊB) expression in murine macrophage cells[2].
PRICE 37
DESCRIPTION Dehydroevodiamine (DHE), a natural compound isolated from Evodia rutaecarpa, can inhibit AChE. It has hypotensive and neuroprotective effects and modulates nitric oxide production. (TargetMol Bioactive Compound Library)
DESCRIPTION Dehydroevodiamine (DHED), a constituent of Evodia rutaecarpa, has various biological effects such as hypotensive, negative chronotropic, ion channel depressant, inhibition of nitric oxide production and cerebral blood flow enhancing activities. (TargetMol Bioactive Compound Library)
Compound Sets
6
Axon Medchem Screening Library
3478
Cayman Chemical Bioactives
25101
MedChem Express Bioactive Compound Library
HY-N6029
HY-N2106
ReFrame library
Selleckchem Bioactive Compound Library
dehydroevodiamine-hydrochloride
dehydroevodiamine
TargetMol Bioactive Compound Library
T5721
T2S2335
External IDs
27
Properties
(calculated by RDKit )
Molecular Weight
301.12
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
5
Aromatic Ring Count
2
cLogP
1.64
TPSA
35.91
Fraction CSP3
0.16
Chiral centers
0.0
Largest ring
6.0
QED
0.74
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
AChE
COX
NF-κB
NO Synthase
PGE synthase
NF-¦ÊB
AChE inhibitor
AChR
COX,NF-¦ÊB,PGES,ROS
Pathway
Membrane Transporter/Ion Channel
Neuroscience
Immunology/Inflammation
Source data