| Compound ID | 3053 |
| Compound Structure |  |
| Plant Source | Ajuga remota Benth. Common Name:NR |
| Source Family | Lamiaceae |
| Origin | NR |
| Plant Part Used | Aerial |
| Extract | Methanol |
| Target Bacteria | Mycobacterium tuberculosis |
| Assay / Test Done | Radiorespirometric Bioassay |
| Positive Control Used (conc.) | |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 8 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | Ergosterol - 5, 8 - Endoperoxide Acetate |
| PubChem ID | 6476655 |
| Ethnomedicinal Information | |
| PubMed ID [Source Literature] | 10630115 |
| Extract Preparation | |
| Chemical Classification [Active Compound] | Alicyclic, Tetracyclic, Steroid, Peroxy, O-Acetyl |
| Media / Broth Used [Antimicrobial Assay/Test] | |
| Cytotoxicity Assay [AID] | |
| Molecular Weight | 470.340 |
| Molecular Formula | C30H46O4
|
| SMILES | O1O[C@]23[C@@]([C@@H]4[C@@]1([C@H]1[C@@]([C@H](CC1)[C@H](C)/C=C/[C@@H](C(C)C)C)(CC4)C)C=C2)(CC[C@H](OC(=O)C)C3)C |
| XLogP | 9.123 |
| PSA | 44.760 |
| H-bond Donor | 0 |
| H-bond Acceptor | 4 |
| No. of Rotatable Bond Count | 6 |
| No. of Rings | 3 |
| No. of N | 0 |
| No. of O | 4 |
| No. of S | 0 |
| Reference(s) | 1) Cantrell CL, Rajab MS, Franzblau SG, Fronczek FR, Fischer NH.Antimycobacterial ergosterol-5,8-endoperoxide from Ajuga remota.Planta Med. 1999 Dec;65(8):732-4
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| Curator | |
