| Compound ID | 3553 |
| Compound Structure |  |
| Plant Source | Colubrina retusa (Ditter) Common Name: |
| Source Family | Rhamnaceae |
| Origin | Venezuela |
| Plant Part Used | Stem |
| Extract | |
| Target Bacteria | Mycobacterium intracellulare (ATCC 23068) |
| Assay / Test Done | OADC - Supplemented Middlebrook Broth |
| Positive Control Used (conc.) | Rifampin (0.3 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 10 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | Jujubogenin 3 - O - α - L - Arabinofuranosyl (1-->2) - [3 - O - (Trans) - P - Coumaroyl - β - D - Glucopyranosyl (1-->3)] - α - L - Arabinopyranoside |
| PubChem ID | NR |
| Ethnomedicinal Information | |
| PubMed ID [Source Literature] | 10514332 |
| Extract Preparation | Air dried stem were powdered, extracted at 37°C in ethanol, suspended in water and then again extracted with chloroform and then with butanol and finally evaporated to dryness to yield the compound |
| Chemical Classification [Active Compound] | Alicyclic, Polycyclic, Steroid, Pyran, Cinnamate, Sugar |
| Media / Broth Used [Antimicrobial Assay/Test] | |
| Cytotoxicity Assay [AID] | |
| Molecular Weight | 1044.529 |
| Molecular Formula | C55H80O19 |
| SMILES | C1C[C@@H](C(C2[C@]1(C1[C@@](CC2)(C23C(CC1)C1C(C2)(OC(C[C@@]1(O)C)C=C(C)C)OC3)C)C)(C)C)OC1OC[C@@H]([C@@H]([C@@H]1OC1O[C@@H]([C@@H]([C@@H]1O)O)CO)O[C@@H]1OC([C@@H]([C@@H](C1O)OC(=O)/C=C/c1ccc(cc1)O)O)CO)O |
| XLogP | 5.255 |
| PSA | 282.210 |
| H-bond Donor | 9 |
| H-bond Acceptor | 19 |
| No. of Rotatable Bond Count | 13 |
| No. of Rings | 10 |
| No. of N | 0 |
| No. of O | 19 |
| No. of S | 0 |
| Reference(s) | 1) ElSohly HN, Danner S, Li XC, Nimrod AC, Clark AM.New antimycobacterial saponin from Colubrina retusa.J Nat Prod. 1999 Sep;62(9):1341-2
|
| Curator | Farzana-shamsudeen, vikramjitmandal |
