1.
Basic properties
Alternative names
MM00040
Caffeine
1,3,7-trimethylpurine-2,6-dione
Caffeine
Caffeine
Molecular weight
194.19 Da
LogP
-1.03
2.
2D/3D Structure
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3.
Identifiers
SMILES
Cn1c(=O)c2c(ncn2C)n(C)c1=O
InchiKey
RYYVLZVUVIJVGH-UHFFFAOYSA-N
ChEBI
27732
ChEMBL
CHEMBL113
PDB
CFF
Pubchem
2519
Drugbank
DB00201
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... | ||||