General
Preferred name
DHE
Synonyms
dihydroergotamine ()
P&D ID
PD075292
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 ]]
Compound Sets
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
15
Properties
(calculated by RDKit )
Molecular Weight
583.28
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
3
Rotatable Bonds
4
Ring Count
8
Aromatic Ring Count
3
cLogP
2.08
TPSA
118.21
Fraction CSP3
0.48
Chiral centers
7.0
Largest ring
6.0
QED
0.43
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
