| Compound ID | 4148 |
| Compound Structure |  |
| Plant Source | Anethum graveolens Common Name: |
| Source Family | Apiaceae (Umbelliferae) |
| Origin | |
| Plant Part Used | |
| Extract | |
| Target Bacteria | Mycobacterium fortuitum ATCC 6841, Mycobacterium smegmatis ATCC 14468, Mycobacterium phlei ATCC 11758, Mycobacterium aurum Pasteur Institute 104482, Mycobacterium abscessus ATCC 19977 |
| Assay / Test Done | |
| Positive Control Used (conc.) | |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 2-4 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | NPMC3 |
| PubChem ID | NR |
| Ethnomedicinal Information | |
| PubMed ID [Source Literature] | |
| Extract Preparation | |
| Chemical Classification [Active Compound] | Aliphatic, Alkene, Alkyne, Alcohol |
| Media / Broth Used [Antimicrobial Assay/Test] | |
| Cytotoxicity Assay [AID] | |
| Molecular Weight | 260.178 |
| Molecular Formula | C17H24O2
|
| SMILES | O[C@H](C#CC#C[C@H](O)/C=C/CCCCCCC)C=C |
| XLogP | 4.573 |
| PSA | 40.460 |
| H-bond Donor | 2 |
| H-bond Acceptor | 2 |
| No. of Rotatable Bond Count | 8 |
| No. of Rings | 0 |
| No. of N | 0 |
| No. of O | 2 |
| 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 | |
