| Compound ID | 2516 |
| Compound Structure | |
| Plant Source | Rumex hastatus D. Doon Common Name:Arrowleaf Dock (English) |
| Source Family | Polygonaceae |
| Origin | India |
| Plant Part Used | Whole plant |
| Extract | Ethanol |
| Target Bacteria | Mycobacterium smegmatis (MTCC 6), Mycobacterium smegmatis (MTCC 994) |
| Assay / Test Done | Disk Diffusion Assay |
| Positive Control Used (conc.) | Rifampin (5.0 µg/Disc) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | 13.6 mm, 11.3 mm |
| Active Compound Identified | |
| PubChem ID | NR |
| Ethnomedicinal Information | Root as laxative, tonic, anti - rheumatic, fever, boils |
| PubMed ID [Source Literature] | 21114505 |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | N/A |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Reference(s) | 1) Gupta VK, Shukla C, Bisht GR, Saikia D, Kumar S, Thakur RL.Detection of anti-tuberculosis activity in some folklore plants by radiometric BACTEC assay.Lett Appl Microbiol. 2011 Jan;52(1):33-40
2) http://www.flowersofindia.net/catalog/slides/Arrowleaf%20Dock.html
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| Curator | |
| Compound ID | 2517 |
| Compound Structure | |
| Plant Source | Rumex hastatus Common Name:Arrowleaf Dock (English) |
| Source Family | Polygonaceae |
| Origin | India |
| Plant Part Used | Root |
| Extract | Methanol |
| Target Bacteria | Mycobacterium phlei |
| Assay / Test Done | Disk Diffusion Assay |
| Positive Control Used (conc.) | Chloramphenicol |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 300000 µg/ml of dried plant material |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | |
| PubChem ID | NR |
| Ethnomedicinal Information | Root as laxative, tonic, anti - rheumatic, fever, boils |
| PubMed ID [Source Literature] | 17276637 |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | N/A |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Reference(s) | 1) Gautam R, Saklani A, Jachak SM.Indian medicinal plants as a source of antimycobacterial agents.J Ethnopharmacol. 2007 Mar 21;110(2):200-34
|
| Curator | |
| Compound ID | 4078 |
| Compound Structure |  |
| Plant Source | Rumex hastatus Common Name: |
| Source Family | Polygonaceae |
| Origin | |
| Plant Part Used | |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis |
| Assay / Test Done | |
| Positive Control Used (conc.) | |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 1.5 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | Torachrysone |
| PubChem ID | NR |
| Ethnomedicinal Information | |
| PubMed ID [Source Literature] | |
| Extract Preparation | |
| Chemical Classification [Active Compound] | Aromatic, Bicyclic, Napthalene, Ether, Ketone, Phenol |
| Media / Broth Used [Antimicrobial Assay/Test] | |
| Cytotoxicity Assay [AID] | |
| Molecular Weight | 246.089 |
| Molecular Formula | C14H14O4
|
| SMILES | Cc1cc2cc(OC)cc(O)c2c(O)c1C(=O)C |
| XLogP | 1.923 |
| PSA | 66.760 |
| H-bond Donor | 2 |
| H-bond Acceptor | 4 |
| No. of Rotatable Bond Count | 2 |
| No. of Rings | 2 |
| 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
|
| Curator | |
| Compound ID | 4080 |
| Compound Structure |  |
| Plant Source | Rumex hastatus Common Name: |
| Source Family | Polygonaceae |
| Origin | |
| Plant Part Used | |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis |
| Assay / Test Done | |
| Positive Control Used (conc.) | |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 10 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | EJMC180 |
| PubChem ID | NR |
| Ethnomedicinal Information | |
| PubMed ID [Source Literature] | |
| Extract Preparation | |
| Chemical Classification [Active Compound] | Aromatic, Bicyclic, Napthalene, Ketone, Phenol, Sugar |
| Media / Broth Used [Antimicrobial Assay/Test] | |
| Cytotoxicity Assay [AID] | |
| Molecular Weight | 378.131 |
| Molecular Formula | C19H22O8
|
| SMILES | O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](Oc2cccc3c2c(O)c(C(=O)C)c(C)c3)[C@@H]1O |
| XLogP | 1.470 |
| PSA | 136.680 |
| H-bond Donor | 5 |
| H-bond Acceptor | 8 |
| No. of Rotatable Bond Count | 4 |
| No. of Rings | 3 |
| No. of N | 0 |
| No. of O | 8 |
| 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
|
| Curator | |
| Compound ID | 4082 |
| Compound Structure |  |
| Plant Source | Rumex hastatus Common Name: |
| Source Family | Polygonaceae |
| Origin | |
| Plant Part Used | |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis |
| Assay / Test Done | |
| Positive Control Used (conc.) | |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 3.6 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | EJMC181 |
| PubChem ID | NR |
| Ethnomedicinal Information | |
| PubMed ID [Source Literature] | |
| Extract Preparation | |
| Chemical Classification [Active Compound] | Aromatic, Bicyclic, Napthalene, Ketone, Ether, Phenol, Sugar |
| Media / Broth Used [Antimicrobial Assay/Test] | |
| Cytotoxicity Assay [AID] | |
| Molecular Weight | 408.142 |
| Molecular Formula | C20H24O9
|
| SMILES | O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](Oc2cc(OC)cc3c2c(O)c(C(=O)C)c(C)c3)[C@@H]1O |
| XLogP | 0.815 |
| PSA | 145.910 |
| H-bond Donor | 5 |
| H-bond Acceptor | 9 |
| No. of Rotatable Bond Count | 5 |
| No. of Rings | 3 |
| No. of N | 0 |
| No. of O | 9 |
| 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
|
| Curator | |
| Compound ID | 4084 |
| Compound Structure |  |
| Plant Source | Rumex hastatus Common Name: |
| Source Family | Polygonaceae |
| Origin | |
| Plant Part Used | |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis |
| Assay / Test Done | |
| Positive Control Used (conc.) | |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 1.8 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | EJMC182 |
| PubChem ID | NR |
| Ethnomedicinal Information | |
| PubMed ID [Source Literature] | |
| Extract Preparation | |
| Chemical Classification [Active Compound] | Aromatic, Tricyclic, Anthraquinone, Phenol, O-Acetyl, Sugar |
| Media / Broth Used [Antimicrobial Assay/Test] | |
| Cytotoxicity Assay [AID] | |
| Molecular Weight | 458.121 |
| Molecular Formula | C23H22O10 |
| SMILES | O[C@H]1[C@H](O)[C@@H](COC(=O)C)O[C@@H](Oc2cccc3C(=O)c4c(c(O)cc(C)c4)C(=O)c23)[C@@H]1O |
| XLogP | 0.830 |
| PSA | 159.820 |
| H-bond Donor | 4 |
| H-bond Acceptor | 10 |
| No. of Rotatable Bond Count | 5 |
| No. of Rings | 4 |
| No. of N | 0 |
| No. of O | 10 |
| 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
|
| Curator | |