| Compound ID | 4075 |
| Compound Structure |  |
| Plant Source | Ehretia longiflora Common Name: |
| Source Family | Boraginaceae |
| Origin | |
| Plant Part Used | |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis H37Rv |
| Assay / Test Done | |
| Positive Control Used (conc.) | |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 25 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | Ehretiquinone |
| PubChem ID | NR |
| Ethnomedicinal Information | |
| PubMed ID [Source Literature] | |
| Extract Preparation | |
| Chemical Classification [Active Compound] | Aromatic, Tetracyclic, Benzopyran, Quinone, Phenol |
| Media / Broth Used [Antimicrobial Assay/Test] | |
| Cytotoxicity Assay [AID] | |
| Molecular Weight | 348.136 |
| Molecular Formula | C22H20O4
|
| SMILES | O=C1C=CC(=O)[C@@]2(/C=C/C(=C)C)[C@H]3c4cc(O)ccc4O[C@@]12CC(=C3)C |
| XLogP | 2.676 |
| PSA | 63.600 |
| H-bond Donor | 1 |
| H-bond Acceptor | 4 |
| No. of Rotatable Bond Count | 2 |
| No. of Rings | 4 |
| 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 | 4120 |
| Compound Structure |  |
| Plant Source | Ehretia longiflora Common Name: |
| Source Family | Boraginaceae |
| Origin | |
| Plant Part Used | |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis H37Rv |
| Assay / Test Done | |
| Positive Control Used (conc.) | |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 30 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | EJMC243 |
| PubChem ID | NR |
| Ethnomedicinal Information | |
| PubMed ID [Source Literature] | |
| Extract Preparation | |
| Chemical Classification [Active Compound] | Aromatic, Ether, Alcohol |
| Media / Broth Used [Antimicrobial Assay/Test] | |
| Cytotoxicity Assay [AID] | |
| Molecular Weight | 272.141 |
| Molecular Formula | C17H20O3
|
| SMILES | OC(C(O)Cc1ccccc1)Cc1ccc(OC)cc1 |
| XLogP | 4.743 |
| PSA | 49.690 |
| H-bond Donor | 2 |
| H-bond Acceptor | 3 |
| No. of Rotatable Bond Count | 6 |
| No. of Rings | 2 |
| 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) 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 | |
