| Compound ID | 1069 |
| Compound Structure |  |
| Plant Source | Agelica sinensis Common Name:Female Ginseng |
| Source Family | Apiaceae (Umbelliferae) |
| Origin | China |
| Plant Part Used | Root |
| Extract | Petroleum ether, chloroform |
| Target Bacteria | Mycobacterium tuberculosis (Erdman) |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | Rifampin (0.05 µg/ml) |
| Inhibition [%] | >= 90 % |
| Activity [MIC] µg/ml | 49.5 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | Oplopandiol |
| PubChem ID | 6474833 |
| Ethnomedicinal Information | To treat gynecological ailments, fatigue, mild anemia and high blood pressure |
| PubMed ID [Source Literature] | 18567055, 12696940 |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Aliphatic, Alkene, Alkyne, Alcohol |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 262.193 |
| Molecular Formula | C17H26O2
|
| SMILES | O[C@@H](/C=CCCCCCCC)C#CC#C[C@@H](O)CC |
| XLogP | 4.977 |
| PSA | 40.460 |
| H-bond Donor | 2 |
| H-bond Acceptor | 2 |
| No. of Rotatable Bond Count | 8 |
| No. of Rings | 0 |
| No. of N | 0 |
| No. of O | 2 |
| No. of S | 0 |
| Reference(s) | 1) Deng S, Wang Y, Inui T, Chen SN, Farnsworth NR, Cho S, Franzblau SG, Pauli GF.Anti-TB polyynes from the roots of Angelica sinensis.Phytother Res. 2008 Jul;22(7):878-82
2) Zhao KJ, Dong TT, Tu PF, Song ZH, Lo CK, Tsim KW (April 2003).Molecular genetic and chemical assessment of radix Angelica (Danggui) in China. J. Agric. Food Chem. 51 (9): 2576.83
|
| Curator | |
| Compound ID | 1074 |
| Compound Structure | |
| Plant Source | Agelica sinensis Common Name:Female Ginseng |
| Source Family | Apiaceae (Umbelliferae) |
| Origin | China |
| Plant Part Used | Root |
| Extract | Petroleum ether, chloroform |
| Target Bacteria | Mycobacterium tuberculosis H37Rv |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | Rifampin (0.06 µg/ml) |
| Inhibition [%] | >= 90 % |
| Activity [MIC] µg/ml | 50.2 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | Oplopandiol |
| PubChem ID | 6474833 |
| Ethnomedicinal Information | To treat gynecological ailments, fatigue, mild anemia and high blood pressure |
| PubMed ID [Source Literature] | 18567055, 12696940 |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Aliphatic, Alkene, Alkyne, Alcohol |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 262.193 |
| Molecular Formula | C17H26O2
|
| SMILES | O[C@@H](/C=CCCCCCCC)C#CC#C[C@@H](O)CC |
| XLogP | 4.977 |
| PSA | 40.460 |
| H-bond Donor | 2 |
| H-bond Acceptor | 2 |
| No. of Rotatable Bond Count | 8 |
| No. of Rings | 0 |
| No. of N | 0 |
| No. of O | 2 |
| No. of S | 0 |
| Reference(s) | 1) Deng S, Wang Y, Inui T, Chen SN, Farnsworth NR, Cho S, Franzblau SG, Pauli GF.Anti-TB polyynes from the roots of Angelica sinensis.Phytother Res. 2008 Jul;22(7):878-82
2) Zhao KJ, Dong TT, Tu PF, Song ZH, Lo CK, Tsim KW (April 2003).Molecular genetic and chemical assessment of radix Angelica (Danggui) in China. J. Agric. Food Chem. 51 (9): 2576.83
|
| Curator | |
