| Compound ID | 3994 |
| Compound Structure |  |
| Plant Source | Morinda citrifolia Common Name: |
| Source Family | Rubiaceae |
| Origin | |
| Plant Part Used | |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis H37Rv |
| Assay / Test Done | |
| Positive Control Used (conc.) | |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 2.5 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | NPMC53 |
| PubChem ID | NR |
| Ethnomedicinal Information | |
| PubMed ID [Source Literature] | |
| Extract Preparation | |
| Chemical Classification [Active Compound] | Alicyclic, Tetracyclic, Steroid, Peroxy, Alcohol |
| Media / Broth Used [Antimicrobial Assay/Test] | |
| Cytotoxicity Assay [AID] | |
| Molecular Weight | 444.360 |
| Molecular Formula | C29H48O3
|
| SMILES | CC(C)[C@H](CC)/C=C/[C@@H](C)[C@H]1CCC2[C@]34CC[C@@]5(OO3)C[C@@H](O)CC[C@]5(C)C4CC[C@]12C |
| XLogP | 9.550 |
| PSA | 38.690 |
| H-bond Donor | 1 |
| H-bond Acceptor | 3 |
| No. of Rotatable Bond Count | 5 |
| No. of Rings | 3 |
| 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
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| Curator | |
