Molecule Details
| InChIKey | MBNGWHIJMBWFHU-UHFFFAOYSA-N |
|---|---|
| Compound Name | Diosmetin |
| Canonical SMILES | COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.67 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11259 |
|---|---|
| Drug Name | Diosmetin |
| CAS Number | 520-34-3 |
| Groups | approved |
| ATC Codes | nan |
| Description | Diosmetin is an O-methylated flavone and the aglycone part of the flavonoid glycosides diosmin that occurs naturally in citrus fruits [A27231]. Pharmacologically, diosmetin is reported to exhibit anticancer, antimicrobial, antioxidant, oestrogenic and anti-inflamatory activities [A27231]. It also ac... |
Categories: Benzopyrans Chromones Heterocyclic Compounds, Fused-Ring Pyrans
Cross-references: BindingDB: 23414 ChEBI: 4630 CHEMBL90568 ChemSpider: 4444931 C10038 PDB: J8D PubChem:5281612 PubChem:347827956 RxCUI: 1314347 Wikipedia: Diosmetin ZINC: ZINC000005733652
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q16678 | CYP1B1 | Homo sapiens | Human | PF00067 | 7.8 | Ki | ChEMBL;BindingDB |
| P04798 | CYP1A1 | Homo sapiens | Human | PF00067 | 7.0 | IC50 | ChEMBL;BindingDB |
| P47989 | XDH | Homo sapiens | Human | PF01315 PF03450 PF00941 PF00111 PF01799 PF02738 PF20256 | 6.3 | IC50 | ChEMBL |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 6.3 | IC50 | ChEMBL |
| Q9UHH9 | IP6K2 | Homo sapiens | Human | PF03770 | 6.0 | IC50 | ChEMBL;BindingDB |