| Compound ID | 3953 |
| Compound Structure |  |
| Plant Source | Ipomoea tyrianthina Common Name:NR |
| Source Family | Convolvulaceae |
| Origin | NR |
| Plant Part Used | Root |
| Extract | NR |
| Target Bacteria | Mycobacterium tuberculosis |
| Assay / Test Done | NR |
| Positive Control Used (conc.) | NR |
| Inhibition [%] | NR |
| Activity [MIC] µg/ml | 100 µg/ml |
| Activity (In terms of dilution) | NR |
| Activity (Zone of inhibition in mm) | NR |
| Active Compound Identified | Tyrianthin A |
| PubChem ID | 56674844 |
| Ethnomedicinal Information | NR |
| PubMed ID [Source Literature] | 19596196 |
| Extract Preparation | NR |
| Chemical Classification [Active Compound] | Alicyclic, Fattyacid, Tyrianthinic acids, Glycolipid, Glycoside, Acylated |
| Media / Broth Used [Antimicrobial Assay/Test] | NR |
| Cytotoxicity Assay [AID] | NR |
| Molecular Weight | 2093.117 |
| Molecular Formula | C100H172O45 |
| SMILES | O1C2C(OC3C(O)C(O)C(OC3OC(CCCCCCCCCC(=O)OC3C(OC4OC(C(OC(=O)CCCCCCCCCC(OC5OC(C(O)C(O)C5OC5OC(C(O)C(O)C5OC5OC(C(OC6OC(C(OC(=O)C(CC)C)C(O)C6O)C)C(O)C5OC(=O)C(C(O)C)C)C)CO)C)CCCCC)C(O)C4O)C)C(OC1C3OC(=O)C(C(O)C)C)C)CCCCC)C)OC(C(O)C2O)COC(=O)C(C(O)C)C |
| XLogP | 6.942 |
| PSA | 649.390 |
| H-bond Donor | 17 |
| H-bond Acceptor | 45 |
| No. of Rotatable Bond Count | 48 |
| No. of Rings | 9 |
| No. of N | 0 |
| No. of O | 45 |
| No. of S | 0 |
| Reference(s) | 1) León-Rivera I, Mirón-López G, Estrada-Soto S, Aguirre-Crespo F, Gutiérrez Mdel C, Molina-Salinas GM, Hurtado G, Navarrete-Vázquez G, Montiel E.Glycolipid ester-type heterodimers from Ipomoea tyrianthina and their pharmacological activity.Bioorg Med Chem Lett. 2009 Aug 15;19(16):4652-6. Epub 2009 Jun 25
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| Curator | KeyaMukherjee, vsheeba |
