| Compound ID | 3755 |
| Compound Structure |  |
| Plant Source | Calliandra californica Benth. Common Name:NR |
| Source Family | Fabaceae |
| Origin | NR |
| Plant Part Used | Root |
| Extract | Ethyl acetate |
| Target Bacteria | Mycobacterium tuberculosis H37Rv (CIBIN / UMF15 : 099) |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | NR |
| Inhibition [%] | NR |
| Activity [MIC] µg/ml | 12.5 µg/ml |
| Activity (In terms of dilution) | NR |
| Activity (Zone of inhibition in mm) | NR |
| Active Compound Identified | Escobarine A |
| PubChem ID | 11983334 |
| Ethnomedicinal Information | NR |
| PubMed ID [Source Literature] | 16755469 |
| Extract Preparation | NR |
| Chemical Classification [Active Compound] | Alicyclic, Tricyclic, Terpene, Diterpene, Epoxy, Aldehyde, Phenol |
| Media / Broth Used [Antimicrobial Assay/Test] | NR |
| Cytotoxicity Assay [AID] | Against 5 human tumor cell lines |
| Molecular Weight | 330.183 |
| Molecular Formula | C20H26O4 |
| SMILES | O1[C@@]2([C@H]3[C@@H]([C@@]4([C@H](C(CCC4)(C)C)C[C@@H]3O)C)CC(=O)[C@]12C#C)C=O |
| XLogP | 3.288 |
| PSA | 66.900 |
| H-bond Donor | 2 |
| H-bond Acceptor | 4 |
| No. of Rotatable Bond Count | 1 |
| No. of Rings | 4 |
| No. of N | 0 |
| No. of O | 4 |
| No. of S | 0 |
| Reference(s) | 1) Encarnación-Dimayuga R, Agúndez-Espinoza J, García A, Delgado G, Molina-Salinas GM, Said-Fernández S.Two new cassane-type diterpenes from Calliandra californica with antituberculosis and cytotoxic activities.Planta Med. 2006 Jun;72(8):757-61. Epub 2006 Jun 1
|
| Curator | Reshmi, vikramjitmandal |
| Compound ID | 4033 |
| Compound Structure |  |
| Plant Source | Calliandra californica Common Name: |
| Source Family | Fabaceae |
| Origin | |
| Plant Part Used | |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis H37Rv ATCC 27294 and Mycobacterium tuberculosis CIBIN/UMF 15:99 clinical isolate |
| Assay / Test Done | |
| Positive Control Used (conc.) | |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 50 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | Escobarine B |
| PubChem ID | NR |
| Ethnomedicinal Information | |
| PubMed ID [Source Literature] | |
| Extract Preparation | |
| Chemical Classification [Active Compound] | Alicyclic, Tetracyclic, Terpene, Diterpene, Epoxy, Alcohol |
| Media / Broth Used [Antimicrobial Assay/Test] | |
| Cytotoxicity Assay [AID] | |
| Molecular Weight | 316.204 |
| Molecular Formula | C20H28O3
|
| SMILES | O=C1[C@@]2(C#C)[C@@](O2)(CO)C2CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2C1 |
| XLogP | 4.476 |
| PSA | 49.830 |
| H-bond Donor | 2 |
| H-bond Acceptor | 3 |
| No. of Rotatable Bond Count | 1 |
| No. of Rings | 4 |
| 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
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| Curator | |
