| Compound ID | 1297 |
| Compound Structure |  |
| Plant Source | Brucea javanica (L.) Merrill syn. Rhus javanica L. Common Name:Java Brucea |
| Source Family | Simaroubaceae |
| Origin | India, China |
| Plant Part Used | |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis |
| Assay / Test Done | |
| Positive Control Used (conc.) | Rifampin |
| Inhibition [%] | 7 % |
| Activity [MIC] µg/ml | 12.5 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | Bruceoside D |
| PubChem ID | 460525 |
| Ethnomedicinal Information | Treatment of amoebic dysentery and malaria, stomach complaints |
| PubMed ID [Source Literature] | 9332005 |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Alicyclic, Pentacyclic, Terpene, Triterpene, Quassinoid, Sugar |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 668.232 |
| Molecular Formula | C31H40O16 |
| SMILES | O1C2([C@H]3[C@]4([C@@H]([C@@]5([C@@H](C[C@H]4OC(=O)[C@@H]3OC(=O)C=C(C)C)[C@@H](C(=O)C(=C5)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)C)C)[C@@H](O)[C@@H]2O)C1)C(=O)O |
| XLogP | -0.909 |
| PSA | 256.040 |
| H-bond Donor | 7 |
| H-bond Acceptor | 16 |
| No. of Rotatable Bond Count | 7 |
| No. of Rings | 6 |
| No. of N | 0 |
| No. of O | 16 |
| No. of S | 0 |
| Reference(s) | 1) Rahman S, Fukamiya N, Okano M, Tagahara K, Lee KH.Anti-tuberculosis activity of quassinoids.Chem Pharm Bull (Tokyo). 1997 Sep;45(9):1527-9
2) http://www.hear.org/pier/commonnames/details/brucea_javanica.htm
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| Curator | |
