Molecule Details
| InChIKey | WUADCCWRTIWANL-UHFFFAOYSA-N |
|---|---|
| Compound Name | Biochanin A |
| Canonical SMILES | COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.9 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB15334 |
|---|---|
| Drug Name | Biochanin A |
| CAS Number | 491-80-5 |
| Groups | experimental |
| ATC Codes | nan |
| Description | Biochanin A is under investigation in clinical trial NCT02174666 (Isoflavone Treatment for Postmenopausal Osteopenia.). |
Categories: Anticarcinogenic Agents Antineoplastic Agents Benzopyrans Chromones Compounds used in a research, industrial, or household setting Estrogens Estrogens, Non-Steroidal Flavonoids Heterocyclic Compounds, Fused-Ring Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Isoflavones Phytoestrogens Protective Agents Pyrans
Cross-references: BindingDB: 9461 ChEBI: 17574 CHEMBL131921 ChemSpider: 4444068 C00814 PDB: QSO Wikipedia: Biochanin_A ZINC: ZINC000018847037
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P11511 | CYP19A1 | Homo sapiens | Human | PF00067 | 8.0 | IC50 | ChEMBL;BindingDB |
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 7.3 | Ki | ChEMBL;BindingDB |
| P43166 | CA7 | Homo sapiens | Human | PF00194 | 6.4 | Ki | ChEMBL;BindingDB |
| P21397 | MAOA | Homo sapiens | Human | PF01593 | 6.4 | IC50 | ChEMBL |
| P27338 | MAOB | Homo sapiens | Human | PF01593 | 6.4 | IC50 | ChEMBL |