1.
Basic properties
Alternative names
Aconitine
MM17544
Aconitine
Molecular weight
645.75 Da
LogP
0.65
2.
2D/3D Structure
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3.
Identifiers
SMILES
CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C23)C14
InchiKey
XFSBVAOIAHNAPC-UHFFFAOYSA-N
ChEBI
181261
ChEMBL
N/A
PDB
N/A
Pubchem
2012
Drugbank
N/A
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... | ||||