| Compound ID | 3991 |
| Compound Structure |  |
| Plant Source | Embelia Schimperi Common Name: |
| Source Family | Myrsinaceae |
| Origin | |
| Plant Part Used | |
| Extract | |
| Target Bacteria | One strain of H37Rv, 21 sensitive clinical strains, two clinical isolates resistant to isoniazid, and 13 MDR clinical strains |
| Assay / Test Done | |
| Positive Control Used (conc.) | |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 200 µg/ml (inactive) |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | Protoprimulagenin A |
| PubChem ID | NR |
| Ethnomedicinal Information | |
| PubMed ID [Source Literature] | |
| Extract Preparation | |
| Chemical Classification [Active Compound] | Alicyclic, Polycyclic, Terpene,Triterpene, Furanoid, Alcohol |
| Media / Broth Used [Antimicrobial Assay/Test] | |
| Cytotoxicity Assay [AID] | |
| Molecular Weight | 458.376 |
| Molecular Formula | C30H50O3
|
| SMILES | CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2CC[C@@]23OC[C@@]4([C@@H](C[C@@]12C)O)C3CC(C)(C)CC4 |
| XLogP | 8.018 |
| PSA | 49.690 |
| H-bond Donor | 2 |
| H-bond Acceptor | 3 |
| No. of Rotatable Bond Count | 0 |
| No. of Rings | 6 |
| No. of N | 0 |
| No. of O | 3 |
| No. of S | 0 |
| Reference(s) | 1) In silico Comparison of Antimycobacterial Natural Products with Known Antituberculosis Drugs. Marlene Espinoza-Moraga, Nicholas M. Njuguna, Grace Mugumbate, Julio Caballero, and Kelly Chibale. Journal of Chemical Information and Modeling 2013 53 (3), 649-660
2) Rogoza, L. N.; Salakhutdinov, N. F.; Tolstikov, G. A. Anti-tubercular Activity of Natural Products: Recent Developments. In Opportunity, Challenge and Scope of Natural Products in Medicinal Chemistry; Tiwari, V. K. Ed.; Research Signpost: India, 2011; pp 103-120
|
| Curator | |
