Indian Plant Antiviral Compound Database (IMPAC)
| Indian Plant Antiviral Compound | Description |
|---|---|
| InAVPCDB Accession Number | AVD007 |
| Compound Name | Betulin |
| Phytochemical category | pentacyclic triterpenoid |
| PubChem Id | 72326 |
| IUPAC Name | (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol |
| Molecular Formula | C30H50O2 |
| Canonical SMILES Notation | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO |
| Binomial Name | Acacia modesta |
| Vernacular Names | Phulai/Palosa |
| Plant Part | Ariel parts of the plant |
| Family | Mimosoideae |
| Description | Herpes simplex virus type 1, Human immunodeficiency virus type 1, and SARS-CoV-2. |
| Mechanism of action | It inhibits the viral replication by targetting viral proteases. |
| Molecular weight | 442.72 g/mol |
| XLOGP3 | 8.28 |
| Num. H-bond acceptors | 2 |
| Num. H-bond donors | 2 |
| Rotatable bonds | 2 |
| Topological polar surface area | 40.46 Ų |
| Bioavailability Score | 0.55 |
| Druglikeness | Yes |
| Lipinski | 1 violation |
| References | Pavlova NI, Savinova OV, Nikolaeva SN, Boreko EI, Flekhter OB. Antiviral activity of betulin, betulinic and betulonic acids against some enveloped and non-enveloped viruses. Fitoterapia. 2003 Jul 1;74(5):489-92. Alhadrami HA, Sayed AM, Sharif AM, Azhar EI, Rateb ME. Olive-Derived Triterpenes Suppress SARS COV-2 Main Protease: A Promising Scaffold for Future Therapeutics. Molecules. 2021 Jan;26(9):2654. |
