| Compound ID | 2302 |
| Compound Structure |  |
| Plant Source | Pedilanthus tithymaloides Common Name:Devil's Backbone, Zigzag Plant, Jacob's Ladder |
| Source Family | Euphorbiaceae |
| Origin | Thailand,Tropical America |
| Plant Part Used | Milky juice or latex |
| Extract | Dichloromethane |
| Target Bacteria | Mycobacterium tuberculosis H37Ra |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | Isoniazid (0.1 µg/ml), Kanamycin (2.5 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 50 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | 1α, 7, 8β, 9β, 14α, 15β - Hexaacetoxy - 3β - benzoyloxy - 5β - hydroxyjatropha - 6 (7), 12 - diene |
| PubChem ID | 23642500 |
| Ethnomedicinal Information | Anti - inflammatory, antioxidant, anti - malaria |
| PubMed ID [Source Literature] | 17844996 |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Alicyclic, Bicyclic, Terpene, Diterpene, Jatrophane, Benzoyl, Acetyl, Alcohol |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 758.315 |
| Molecular Formula | C39H50O15
|
| SMILES | O([C@@]12[C@H]([C@@H](OC(=O)c3ccccc3)[C@H]([C@@H]1OC(=O)C)C)[C@H](O)/C(=C(/OC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)C(C/C=C(/[C@H]2OC(=O)C)C)(C)C)/C)C(=O)C |
| XLogP | 5.238 |
| PSA | 204.330 |
| H-bond Donor | 1 |
| H-bond Acceptor | 15 |
| No. of Rotatable Bond Count | 15 |
| No. of Rings | 3 |
| No. of N | 0 |
| No. of O | 15 |
| No. of S | 0 |
| Reference(s) | 1) Mongkolvisut W, Sutthivaiyakit S.Antimalarial and antituberculous poly-O-acylated jatrophane diterpenoids from Pedilanthus tithymaloides.J Nat Prod. 2007 Sep;70(9):1434-8
2) http://www.flowersofIndia.net/catalog/slides/Devil%27s%20Backbone.html
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| Curator | |
