| Compound ID | 4144 |
| Compound Structure |  |
| Plant Source | Mulinum crassifolium Common Name: |
| Source Family | Apiaceae (Umbelliferae) |
| Origin | |
| Plant Part Used | |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis H37Rv ATCC 27294 |
| 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 | Mulinol |
| PubChem ID | NR |
| Ethnomedicinal Information | |
| PubMed ID [Source Literature] | |
| Extract Preparation | |
| Chemical Classification [Active Compound] | Alicyclic, Tricyclic, Terpene, Diterpene, Epoxy, Alcohol |
| Media / Broth Used [Antimicrobial Assay/Test] | |
| Cytotoxicity Assay [AID] | |
| Molecular Weight | 304.240 |
| Molecular Formula | C20H32O2
|
| SMILES | [C@H]12C3[C@](CC[C@]1(CC=C(C1C2O1)C)C)([C@H](CC3)C(C)C)CO |
| XLogP | 4.945 |
| PSA | 32.760 |
| H-bond Donor | 1 |
| H-bond Acceptor | 2 |
| No. of Rotatable Bond Count | 2 |
| No. of Rings | 4 |
| 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) 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 | 4145 |
| Compound Structure | |
| Plant Source | Mulinum crassifolium Common Name: |
| Source Family | Apiaceae (Umbelliferae) |
| Origin | |
| Plant Part Used | |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis CIBIN/UMF 15:99 clinical isolate |
| 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 | Mulinol |
| PubChem ID | NR |
| Ethnomedicinal Information | |
| PubMed ID [Source Literature] | |
| Extract Preparation | |
| Chemical Classification [Active Compound] | Alicyclic, Tricyclic, Terpene, Diterpene, Epoxy, Alcohol |
| Media / Broth Used [Antimicrobial Assay/Test] | |
| Cytotoxicity Assay [AID] | |
| Molecular Weight | 304.240 |
| Molecular Formula | C20H32O2
|
| SMILES | [C@H]12C3[C@](CC[C@]1(CC=C(C1C2O1)C)C)([C@H](CC3)C(C)C)CO |
| XLogP | 4.945 |
| PSA | 32.760 |
| H-bond Donor | 1 |
| H-bond Acceptor | 2 |
| No. of Rotatable Bond Count | 2 |
| No. of Rings | 4 |
| 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) 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 | |
