Indian Plant Antiviral Compound Database (IMPAC)
| Indian Plant Antiviral Compound | Description |
|---|---|
| InAVPCDB Accession Number | AVD019 |
| Compound Name | Emblicanin A |
| Phytochemical category | Polyphenol |
| PubChem Id | 119058016 |
| IUPAC Name | [(10R,15R)-3,4,5,21,22,23-hexahydroxy-8,13,18-trioxo-12-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,11,19,21-heptaen-11-yl] 3,4,5-trihydroxybenzoate |
| Molecular Formula | C34H22O22 |
| Canonical SMILES Notation | C1C2C(C(=C(C(=O)O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)O |
| Binomial Name | Phyllanthus emblica |
| Vernacular Names | Nellikai/Anwala/Amla |
| Plant Part | Fruit |
| Family | Phyllanthaceae |
| Description | Herpes simplex viruses type 1, Human papilloma virus, and SARS-CoV-2. |
| Mechanism of action | It inhibits the infection DNA binding of activator protein-1, reverse transcript, and viral replication. |
| Molecular weight | 782.53 g/mol |
| XLOGP3 | 1.61 |
| Num. H-bond acceptors | 22 |
| Num. H-bond donors | 12 |
| Rotatable bonds | 6 |
| Topological polar surface area | 374.26 Ų |
| Bioavailability Score | 0.11 |
| Druglikeness | No |
| Lipinski | 3 violations |
| References | Khurana SK, Tiwari R, Sharun K. Mohd. Iqbal Yatoo, Mudasir Bashir Gugjoo and Kuldeep Dhama, Emblica officinalis (Amla) with a Particular Focus on its Antimicrobial potentials: A Review. J Pure Appl Microbiol. 2019;13(4):1995-2012. 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. |
