1.
Basic properties
Alternative names
MM00424
Theobromine
3,7-dimethylpurine-2,6-dione
Theobromine
Molecular weight
180.17 Da
LogP
-1.04
2.
2D/3D Structure
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3.
Identifiers
SMILES
Cn1cnc2c1c(=O)[nH]c(=O)n2C
InchiKey
YAPQBXQYLJRXSA-UHFFFAOYSA-N
ChEBI
28946
ChEMBL
CHEMBL1114
PDB
37T
Pubchem
5429
Drugbank
DB01412
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... | ||||