Indian Plant Antiviral Compound Database (IMPAC)
| Indian Plant Antiviral Compound | Description |
|---|---|
| InAVPCDB Accession Number | AVD046 |
| Compound Name | Rutin |
| Phytochemical category | Flavanoid |
| PubChem Id | 5280805 |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one |
| Molecular Formula | C27H30O16 |
| Canonical SMILES Notation | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O |
| Binomial Name | Azadirachta indica |
| Vernacular Names | Vepilai/Vepaku/Margosa/Neem |
| Plant Part | Leaf |
| Family | Meliaceae |
| Description | Avian influenza virus, Herpes viruses, Parainfluenza virus, Hepatitis C virus, and SARS-CoV-2. |
| Mechanism of action | It hinhibits viral replication and translation mechanisms; limits the activity of some heat shock proteins. |
| Molecular weight | 610.52 g/mol |
| XLOGP3 | -0.33 |
| Num. H-bond acceptors | 16 |
| Num. H-bond donors | 10 |
| Rotatable bonds | 6 |
| Topological polar surface area | 269.43 Ų |
| Bioavailability Score | 0.17 |
| Druglikeness | No |
| Lipinski | 3 violation |
| References | Orhan DD, ?z?elik B, ?zgen S, Ergun F. Antibacterial, antifungal, and antiviral activities of some flavonoids. Microbiological research. 2010 Aug 20;165(6):496-504. Ibrahim AK, Youssef AI, Arafa AS, Ahmed SA. Anti-H5N1 virus flavonoids from Capparis sinaica Veill. Natural product research. 2013 Nov 1;27(22):2149-53. |
