| Compound ID | 3591 |
| Compound Structure |  |
| Plant Source | Ruprechtia trifolia Griseb Common Name: |
| Source Family | Polynaceae |
| Origin | |
| Plant Part Used | Aerial |
| Extract | Dichloromethane:Methanol |
| Target Bacteria | Mycobacterium tuberculosis H37Rv (ATCC 27294) |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | Rifampin (0.06 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 4 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | 5α, 8α - Epidioxyergosta - 6, 22 - Dien - 3β - Yl Stearate |
| PubChem ID | NR |
| Ethnomedicinal Information | |
| PubMed ID [Source Literature] | 12898418 |
| Extract Preparation | |
| Chemical Classification [Active Compound] | Alicyclic, Tetracyclic, Steroid, Peroxy, Ester, Stearate |
| Media / Broth Used [Antimicrobial Assay/Test] | |
| Cytotoxicity Assay [AID] | |
| Molecular Weight | 694.590 |
| Molecular Formula | C46H78O4 |
| SMILES | C12[C@@]3([C@@]4(C=C[C@@]1(C1[C@](CC2)([C@H](CC1)[C@@H](/C=C/[C@@H](C(C)C)C)C)C)OO4)C[C@H](CC3)OC(=O)CCCCCCCCCCCCCCCCC)C |
| XLogP | 17.911 |
| PSA | 44.760 |
| H-bond Donor | 0 |
| H-bond Acceptor | 4 |
| No. of Rotatable Bond Count | 22 |
| No. of Rings | 3 |
| No. of N | 0 |
| No. of O | 4 |
| No. of S | 0 |
| Reference(s) | 1) Woldemichael GM, Franzblau SG, Zhang F, Wang Y, Timmermann BN.Inhibitory effect of sterols from Ruprechtia triflora and diterpenes from Calceolaria pinnifolia on the growth of Mycobacterium tuberculosis.Planta Med. 2003 Jul;69(7):628-31
|
| Curator | Rachana, vikramjitmandal |
| Compound ID | 4151 |
| Compound Structure |  |
| Plant Source | Ruprechtia triflora 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 | 2-4 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | NPMC54a |
| PubChem ID | NR |
| Ethnomedicinal Information | |
| PubMed ID [Source Literature] | |
| Extract Preparation | |
| Chemical Classification [Active Compound] | Alicyclic, Tetracyclic, Steroid, Peroxy, Ester, Stearate |
| Media / Broth Used [Antimicrobial Assay/Test] | |
| Cytotoxicity Assay [AID] | |
| Molecular Weight | 694.590 |
| Molecular Formula | C46H78O4
|
| SMILES | CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CCC2[C@]34C=C[C@@]5(OO3)C[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)CC[C@]5(C)C4CC[C@]12C |
| XLogP | 17.911 |
| PSA | 44.760 |
| H-bond Donor | 0 |
| H-bond Acceptor | 4 |
| No. of Rotatable Bond Count | 22 |
| No. of Rings | 3 |
| 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) Rogoza, L. N.; Salakhutdinov, N. F.; Tolstikov, G. A. Anti-tubercular Activity of Natural Products: Recent Developments. In Opportunity, Challenge and Scope of Natural Products in Medicinal Chemistry; Tiwari, V. K. Ed.; Research Signpost: India, 2011; pp 103-120
|
| Curator | |
