| Compound ID | 1335 |
| Compound Structure |  |
| Plant Source | Caesalpinia pulcherrima (L.) Sw. Common Name:Barbados Pride (English), Padangam, Ratnagandhi, Krishnachuudaa (Sanskrit) |
| Source Family | Caesalpiniaceae |
| Origin | India |
| Plant Part Used | Root |
| Extract | Dichloromethane |
| Target Bacteria | Mycobacterium tuberculosis H37Ra |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | Isoniazid (0.040 – 0.090 µg/ml) and Kanamycin sulphate (2 – 5 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 6.25 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | 6β - Cinnamoyl - 7β - Hydroxyvouacapen - 5α - Ol |
| PubChem ID | 6479669 |
| Ethnomedicinal Information | Tuberculosis, bronchitis, asthma |
| PubMed ID [Source Literature] | 14531033 |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Alicyclic, Tetracyclic, Terpene, Diterpene, Furanoid, Cinnamoyl, Alcohol |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | Against KB, BC, NCI - H187 cell lines |
| Molecular Weight | 464.256 |
| Molecular Formula | C29H36O5 |
| SMILES | O[C@]12[C@@]([C@@H]3[C@@H]([C@@H](O)[C@H]1OC(=O)/C=C/c1ccccc1)[C@H](c1c(occ1)C3)C)(CCCC2(C)C)C |
| XLogP | 7.503 |
| PSA | 79.900 |
| H-bond Donor | 2 |
| H-bond Acceptor | 5 |
| No. of Rotatable Bond Count | 4 |
| No. of Rings | 5 |
| No. of N | 0 |
| No. of O | 5 |
| No. of S | 0 |
| Reference(s) | 1) Promsawan N, Kittakoop P, Boonphong S, Nongkunsarn P.Antitubercular cassane furanoditerpenoids from the roots of Caesalpinia pulcherrima.Planta Med. 2003 Aug;69(8):776-7
2) Chopra, R.N., Nayar, S.L., Chopra, R.C., 1956. Glossary of Indian Medicinal Plants. Council of Scientific and Industrial Research, New Delhi, India
|
| Curator | |
| Compound ID | 3747 |
| Compound Structure |  |
| Plant Source | Ziziphus cambodiana Pierre Common Name:NR |
| Source Family | Rhamnaceae |
| Origin | Northeast of Thailand |
| Plant Part Used | Root bark |
| Extract | NR |
| Target Bacteria | Mycobacterium tuberculosis H37Ra |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | Rifampin (0.004 µg/ml), Isoniazid (0.06 µg/ml), Kanamycin sulphate (2.5 µg/ml) |
| Inhibition [%] | >= 90 % |
| Activity [MIC] µg/ml | 12.5 µg/ml (IC50 : 0.9) |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | NR |
| Active Compound Identified | 2-O-E-p-Coumaroylalphitolic |
| PubChem ID | 15958446 |
| Ethnomedicinal Information | |
| PubMed ID [Source Literature] | 16595959 |
| Extract Preparation | Pulverized, dry root bark (4.85 kg) of Ziziphus cambodiana was defatted with hexane and then extracted successively with ethyl acetate (EtOAc) and Methanol (MeOH) at 50°C for 50 h, and the solvents were evaporated to yield EtOAc (60.4 g) and MeOH (629.3 g) extracts, respectively |
| Chemical Classification [Active Compound] | Alicyclic, Pentacyclic, Terpene, Triterpene, Alcohol, Acid, Cinnamoyl, Phenol |
| Media / Broth Used [Antimicrobial Assay/Test] | |
| Cytotoxicity Assay [AID] | |
| Molecular Weight | 618.392 |
| Molecular Formula | C39H54O6 |
| SMILES | O([C@@H]1C[C@@]2(C3[C@]([C@]4(C(C5[C@@](CC4)(CC[C@H]5C(=C)C)C(=O)O)CC3)C)(CC[C@H]2C([C@H]1O)(C)C)C)C)C(=O)/C=C/c1ccc(O)cc1 |
| XLogP | 10.872 |
| PSA | 104.060 |
| H-bond Donor | 3 |
| H-bond Acceptor | 6 |
| No. of Rotatable Bond Count | 6 |
| No. of Rings | 6 |
| No. of N | 0 |
| No. of O | 6 |
| No. of S | 0 |
| Reference(s) | 1) Suksamrarn S, Panseeta P, Kunchanawatta S, Distaporn T, Ruktasing S, Suksamrarn A.Ceanothane- and lupane-type triterpenes with antiplasmodial and antimycobacterial activities from Ziziphus cambodiana.Chem Pharm Bull (Tokyo). 2006 Apr;54(4):535-7
|
| Curator | Vikramjitmandal, rachanake |
