BERBERINE [201246]
BERBERINE
| SMILES | COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 |
| InChIKey | YBHILYKTIRIUTE-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 2 |
| Log P | 3.096 |
| Molecular weight (Da) | 336.1 |
| Stereochemistry info | unspecified |
Database connections
| Structure pdb | 9W3F |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
BERBERINE
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0
Database connections
| Structure pdb | 9W3F |