Indian Plant Antiviral Compound Database (IMPAC)
| Indian Plant Antiviral Compound | Description |
|---|---|
| InAVPCDB Accession Number | AVD035 |
| Compound Name | Mimusopic acid |
| Phytochemical category | Triterpene |
| PubChem Id | 6712545 |
| IUPAC Name | (4aS,6aR,6bR,8aS,9R,10R,11S,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,8a,9-hexamethyl-1,3,4,5,6,7,8,10,11,12,13,14b-dodecahydropicene-4a-carboxylic acid |
| Molecular Formula | C30H46O5 |
| Canonical SMILES Notation | CC1(CCC2(CCC3(C(=CCC4=C5CC(C(C(C5(CCC43C)C)(C)CO)O)O)C2C1)C)C(=O)O)C |
| Binomial Name | Phyllanthus emblica |
| Vernacular Names | Nellikai/Anwala/Amla |
| Plant Part | Fruit |
| Family | Phyllanthaceae |
| Description | Human immunodeficiency virus and SARS-CoV-2. |
| Mechanism of action | It inhibts the reverse transcriptase activity. |
| Molecular weight | 486.68 g/mol |
| XLOGP3 | 5.05 |
| Num. H-bond acceptors | 5 |
| Num. H-bond donors | 4 |
| Rotatable bonds | 2 |
| Topological polar surface area | 97.99 Ų |
| Bioavailability Score | 0.56 |
| Druglikeness | Yes |
| Lipinski | 0 violation |
| References | Sahu NP. Triterpenoid saponins of Mimusops elengi. Phytochemistry. 1996 Feb 1;41(3):883-6. Sharma A, Vora J, Patel D, Sinha S, Jha PC, Shrivastava N. Identification of natural inhibitors against prime targets of SARS-CoV-2 using molecular docking, molecular dynamics simulation and MM-PBSA approaches. Journal of Biomolecular Structure and Dynamics. 2020 Nov 12:1-6. |
