Molecule Details
| InChIKey | IWBJJCOKGLUQIZ-HQKKAZOISA-N |
|---|---|
| Canonical SMILES | CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C(O)[C@@]1(C(=O)C(C)C)C2=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.6 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01892 |
|---|---|
| Drug Name | Hyperforin |
| CAS Number | 11079-53-1 |
| Groups | investigational nutraceutical |
| ATC Codes | nan |
| Description | Hyperforin is a phytochemical generated by the plants of the Hypericum family. One of the most important members of this family, due to its medical properties, is _Hypericum perforatum_, also known as St John's wort. |
Categories: Benzene Derivatives OATP1B1/SLCO1B1 Inhibitors Phenols
Cross-references: BindingDB: 50193079 ChEBI: 5834 CHEMBL1237210 ChemSpider: 16736597 C07608 PDB: HYF PubChem:441298 PubChem:46506104 Therapeutic Targets Database: DNC000759 Wikipedia: Hyperforin ZINC: ZINC000004097413
Target Activities (3)
DrugBank Target Actions (6)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O75469 | NR1I2 | Nuclear receptor subfamily 1 group I member 2 | binder | targets |
| P09917 | ALOX5 | Polyunsaturated fatty acid 5-lipoxygenase | inhibitor | targets |
| P11217 | PYGM | Glycogen phosphorylase, muscle form | inhibitor | targets |
| P23219 | PTGS1 | Prostaglandin G/H synthase 1 | inhibitor | targets |
| Q92887 | ABCC2 | ATP-binding cassette sub-family C member 2 | inducer | transporters |
| Q9Y6L6 | SLCO1B1 | Solute carrier organic anion transporter family member 1B1 | inhibitor | transporters |