| Compound ID | 3990 |
| Compound Structure |  |
| Plant Source | Allium neapolitanum Common Name: |
| Source Family | Amaryllidaceae |
| Origin | |
| Plant Part Used | |
| Extract | |
| Target Bacteria | Mycobacterium smegmatis (mc22700) |
| Assay / Test Done | |
| Positive Control Used (conc.) | |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 16 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | NPMC34c |
| PubChem ID | NR |
| Ethnomedicinal Information | |
| PubMed ID [Source Literature] | |
| Extract Preparation | |
| Chemical Classification [Active Compound] | Aromatic, Tetracyclic, Alkaloid, Quinoline, Amide, Phenol |
| Media / Broth Used [Antimicrobial Assay/Test] | |
| Cytotoxicity Assay [AID] | |
| Molecular Weight | 236.059 |
| Molecular Formula | C14H8N2O2 |
| SMILES | O=c1n2c3c(c4c2c(O)ccc4)ccnc3cc1 |
| XLogP | 1.635 |
| PSA | 55.120 |
| H-bond Donor | 1 |
| H-bond Acceptor | 3 |
| No. of Rotatable Bond Count | 0 |
| No. of Rings | 4 |
| No. of N | 2 |
| 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 | |
