| Compound ID | 4016 |
| Compound Structure |  |
| Plant Source | N/A Common Name: |
| Source Family | |
| Origin | |
| Plant Part Used | |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis H37Rv ATCC 27294 and Mycobacterium tuberculosis CIBIN/UMF 15:99 clinical isolate |
| Assay / Test Done | |
| Positive Control Used (conc.) | |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 6.25 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | EJMC28 |
| PubChem ID | NR |
| Ethnomedicinal Information | |
| PubMed ID [Source Literature] | |
| Extract Preparation | |
| Chemical Classification [Active Compound] | Alicyclic, Pentacyclic, Terpene, Diterpene, Epoxy |
| Media / Broth Used [Antimicrobial Assay/Test] | |
| Cytotoxicity Assay [AID] | |
| Molecular Weight | 390.277 |
| Molecular Formula | C24H38O4
|
| SMILES | CC(C)[C@H]1CC[C@@H]2C1(C(=O)OCCCC)CC[C@]1(C)[C@H]2[C@@H]2O[C@@H]2[C@]2(C)O[C@@H]2C1 |
| XLogP | 5.872 |
| PSA | 51.360 |
| H-bond Donor | 0 |
| H-bond Acceptor | 4 |
| No. of Rotatable Bond Count | 6 |
| No. of Rings | 5 |
| No. of N | 0 |
| No. of O | 4 |
| 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) García, A., Bocanegra-García, V., Palma-Nicolás, J. P., Rivera, G. Vennerstrom, J. L. Recent Advances in Antitubercular Natural Products. Eur. J. Med. Chem. 2012, 49, 1-23
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| Curator | |
