General
Preferred name
evodiamine
Synonyms
d-Evodiamine ()
(+)-Evodiamine ()
isoevodiamine ()
d-Evodiamine(+)-Evodiamine ()
P&D ID
PD017889
CAS
518-17-2
Tags
available
natural product
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 ]]
Cell lines
3
Organisms
0
Compound Sets
5
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Properties
(calculated by RDKit )
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)
Pathway
GPCR/G protein
Target
PGE
TRPV1
MOA
Prostaglandin Receptor antagonist
ATPase inhibitor, TRPV agonist
Source data
