1.
Basic properties
Alternative names
Ergotamine
MM00488
Ergotamine
Ergotamine
Molecular weight
581.67 Da
LogP
1.99
2.
2D/3D Structure
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3.
Identifiers
SMILES
CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21
InchiKey
XCGSFFUVFURLIX-VFGNJEKYSA-N
ChEBI
64318
ChEMBL
CHEMBL442
PDB
ERM
Pubchem
8223
Drugbank
DB00696
4.
Related entries
Forms and parent
Similar entries
Tanimoto similarity of at least 0.85.
Behavior on membranes (passive interactions)
Filters
Membranes
Only membranes with available interactions are shown
Methods
Total: 0
| Membrane | Method | Charge | T [°C] | Primary reference | Secondary reference |
|---|---|---|---|---|---|
| No data... | |||||
6.
Interactions with proteins (active interactions)
Total: 0
| Protein | Charge | T [°C] | Primary reference | Secondary reference |
|---|---|---|---|---|
| No data... | ||||