Indian Plant Antiviral Compound Database (IMPAC)
| Indian Plant Antiviral Compound | Description |
|---|---|
| InAVPCDB Accession Number | AVD050 |
| Compound Name | Ursolic acid |
| Phytochemical category | Pentacyclic triterpenoid |
| PubChem Id | 64945 |
| IUPAC Name | (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
| Molecular Formula | C30H48O3 |
| Canonical SMILES Notation | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O |
| Binomial Name | Ocimum sanctum |
| Vernacular Names | Thulasi/Tulsi/Holy Basil |
| Plant Part | Leaf |
| Family | Labiatae |
| Description | Herpes simplex virus, Human papillomavirus, Human hepatitis C virus, Rotavirus, and Human immunodeficiency virus.? |
| Mechanism of action | It hampers the early stages of the viral replication cycle, as a significant reduction in the number and size of viroplasms, consistent with a decrease in VP6 and NSP2 viral proteins. |
| Molecular weight | 456.70 g/mol |
| XLOGP3 | 7.34 |
| Num. H-bond acceptors | 3 |
| Num. H-bond donors | 2 |
| Rotatable bonds | 1 |
| Topological polar surface area | 57.53 Ų |
| Bioavailability Score | 0.85 |
| Druglikeness | Yes |
| Lipinski | 1 violation |
| References | Tohm? MJ, Gim?nez MC, Peralta A, Colombo MI, Delgui LR. Ursolic acid: A novel antiviral compound inhibiting rotavirus infection in vitro. International journal of antimicrobial agents. 2019 Nov 1;54(5):601-9. |
