General
Preferred name
isoevodiamine
Synonyms
Evodiamine (Isoevodiamine) ()
(±)-Evodiamine ()
evodiamine ()
P&D ID
PD003598
CAS
518-17-2
518-18-3
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
natural product
(Informer Set)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
18
Organisms
0
Compound Sets
4
AdooQ Bioactive Compound Library
Informer Set
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
18
Molecular Weight
303.14
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
5
Aromatic Ring Count
3
cLogP
3.31
TPSA
39.34
Fraction CSP3
0.21
Chiral centers
1.0
Largest ring
6.0
QED
0.69
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Compound status
probe
Target
NF-??
Topoisomerase
NF-¦ÊB
Pathway
Apoptosis
Cell Cycle/DNA Damage
Source data
