Indian Plant Antiviral Compound Database (IMPAC)
| Indian Plant Antiviral Compound | Description |
|---|---|
| InAVPCDB Accession Number | AVD024 |
| Compound Name | Geraniin |
| Phytochemical category | Flavanoid |
| PubChem Id | 3001497 |
| IUPAC Name | [(1R,7R,8S,26R,28S,29R,38R)-1,13,14,15,18,19,20,34,35,39,39-undecahydroxy-2,5,10,23,31-pentaoxo-6,9,24,27,30,40-hexaoxaoctacyclo[34.3.1.04,38.07,26.08,29.011,16.017,22.032,37]tetraconta-3,11,13,15,17,19,21,32,34,36-decaen-28-yl] 3,4,5-trihydroxybenzoate |
| Molecular Formula | C41H28O27 |
| Canonical SMILES Notation | C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C7C(=CC(=O)C(C7(O)O)(O6)O)C(=O)O3)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O |
| Binomial Name | Phyllanthus emblica |
| Vernacular Names | Nellikai/Anwala/Amla |
| Plant Part | Fruit |
| Family | Phyllanthaceae |
| Description | Enterovirus 71, Human immunodeficiency virus type 1, and SARS-CoV-2. |
| Mechanism of action | It inhibts the viral replication by blocking the interacting tendancies of integrase, reverse transcriptase, and protease. |
| Molecular weight | 952.64 g/mol |
| XLOGP3 | -0.59 |
| Num. H-bond acceptors | 27 |
| Num. H-bond donors | 14 |
| Rotatable bonds | 3 |
| Topological polar surface area | 450.25 Ų |
| Bioavailability Score | 0.17 |
| Druglikeness | No |
| Lipinski | 3 violations |
| References | Yang Y, Zhang L, Fan X, Qin C, Liu J. Antiviral effect of geraniin on human enterovirus 71 in vitro and in vivo. Bioorganic & medicinal chemistry letters. 2012 Mar 15;22(6):2209-11. Notka F, Meier G, Wagner R. Concerted inhibitory activities of Phyllanthus amarus on HIV replication in vitro and ex vivo. Antiviral research. 2004 Nov 1;64(2):93-102. |
