| Compound ID | 2029 |
| Compound Structure |  |
| Plant Source | Leucas volkensii Gurke Common Name: |
| Source Family | Labiatae |
| Origin | Kenya |
| Plant Part Used | Aerial |
| Extract | Methanol |
| Target Bacteria | Mycobacterium tuberculosis |
| Assay / Test Done | |
| Positive Control Used (conc.) | |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 2 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | (E)-Phytol |
| PubChem ID | 5280435 |
| Ethnomedicinal Information | Tuberculosis |
| PubMed ID [Source Literature] | 9491760 |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Aliphatic, Alkene, Terpene, Diterpene, Alcohol |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 296.308 |
| Molecular Formula | C20H40O
|
| SMILES | OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C |
| XLogP | 8.949 |
| PSA | 20.230 |
| H-bond Donor | 1 |
| H-bond Acceptor | 1 |
| No. of Rotatable Bond Count | 13 |
| No. of Rings | 0 |
| No. of N | 0 |
| No. of O | 1 |
| No. of S | 0 |
| Reference(s) | 1) Rajab MS, Cantrell CL, Franzblau SG, Fischer NH.Antimycobacterial activity of (E)-phytol and derivatives: a preliminary structure-activity study.Planta Med. 1998 Feb;64(1):2-4
|
| Curator | |
| Compound ID | 2203 |
| Compound Structure |  |
| Plant Source | Morinda citrifolia L. Common Name:Indian Mulberry (English), Ashyuka, Akshi, Atchy (Sanskrit) |
| Source Family | Rubiaceae |
| Origin | Malaysia, India |
| Plant Part Used | Leaf |
| Extract | Hexane |
| Target Bacteria | Mycobacterium tuberculosis |
| Assay / Test Done | Broth dilution assay using BACTEC system |
| Positive Control Used (conc.) | Rifampin (0.125 µg/ml) |
| Inhibition [%] | Crude: 89% and Hexane: 95 % |
| Activity [MIC] µg/ml | 32 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | (E)-Phytol |
| PubChem ID | 5280435 |
| Ethnomedicinal Information | Asthma, joint pains, immune problems, pain relief, cellular regeneration, tuberculosis, respiratory disorders |
| PubMed ID [Source Literature] | 12410555 |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Aliphatic, Alkene, Terpene, Diterpene, Alcohol |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 296.308 |
| Molecular Formula | C20H40O
|
| SMILES | OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C |
| XLogP | 8.949 |
| PSA | 20.230 |
| H-bond Donor | 1 |
| H-bond Acceptor | 1 |
| No. of Rotatable Bond Count | 13 |
| No. of Rings | 0 |
| No. of N | 0 |
| No. of O | 1 |
| No. of S | 0 |
| Reference(s) | 1) Saludes JP, Garson MJ, Franzblau SG, Aguinaldo AM.Antitubercular constituents from the hexane fraction of Morinda citrifolia Linn. (Rubiaceae).Phytother Res. 2002 Nov;16(7):683-5
2) http://www.motherherbs.com/morinda-citrifolia.html
|
| Curator | |
| Compound ID | 4032 |
| Compound Structure |  |
| Plant Source | Pourthiaea lucida Common Name: |
| Source Family | Rosaceae |
| Origin | |
| Plant Part Used | |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis H37Rv |
| Assay / Test Done | |
| Positive Control Used (conc.) | |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 12.5 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | (E)-Phytol |
| PubChem ID | 5280435 |
| Ethnomedicinal Information | |
| PubMed ID [Source Literature] | |
| Extract Preparation | |
| Chemical Classification [Active Compound] | Aliphatic, Alkene, Terpene, Diterpene, Alcohol |
| Media / Broth Used [Antimicrobial Assay/Test] | |
| Cytotoxicity Assay [AID] | |
| Molecular Weight | 296.308 |
| Molecular Formula | C20H40O
|
| SMILES | OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C |
| XLogP | 8.949 |
| PSA | 20.230 |
| H-bond Donor | 1 |
| H-bond Acceptor | 1 |
| No. of Rotatable Bond Count | 13 |
| No. of Rings | 0 |
| No. of N | 0 |
| No. of O | 1 |
| 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 | |