| Compound ID | 3806 |
| Compound Structure |  |
| Plant Source | Angelica sinensis Common Name:Dang Gui |
| Source Family | Apiaceae (Umbelliferae) |
| Origin | Northwest China |
| Plant Part Used | Root |
| Extract | NR |
| Target Bacteria | Mycobacterium tuberculosis H37Rv |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | Rifampin (0.06 µg/ml) |
| Inhibition [%] | NR |
| Activity [MIC] µg/ml | 25.3 µg/ml |
| Activity (In terms of dilution) | NR |
| Activity (Zone of inhibition in mm) | NR |
| Active Compound Identified | 9Z, 17 - Octadecadiene - 12, 14 - Diyne - 1, 11, 16 - Triol, 1 - Acetate |
| PubChem ID | NR |
| Ethnomedicinal Information | NR |
| PubMed ID [Source Literature] | 18567055 |
| Extract Preparation | 8 kg of the pulverized roots of Angelica sinensis Diels were extracted with methanol and the extract sequentially partitioned with petroleum ether, CHCl3, and BuOH |
| Chemical Classification [Active Compound] | Aliphatic, Alkene, Alkyne, Ester, Alcohol, O-Acetyl |
| Media / Broth Used [Antimicrobial Assay/Test] | Middlebrook 7H12 medium |
| Cytotoxicity Assay [AID] | Against Vero cells |
| Molecular Weight | 332.199 |
| Molecular Formula | C20H28O4 |
| SMILES | C(=O)(C)OCCCCCCCC/C=C\C(O)C#CC#CC(C=C)O |
| XLogP | 4.117 |
| PSA | 66.760 |
| H-bond Donor | 2 |
| H-bond Acceptor | 4 |
| No. of Rotatable Bond Count | 12 |
| No. of Rings | 0 |
| No. of N | 0 |
| No. of O | 4 |
| 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
|
| Curator | KeyaMukherjee, reshmi, Farzana Shamsudeen, Vikramjitmandal |
| Compound ID | 3811 |
| Compound Structure | |
| Plant Source | Angelica sinensis Common Name:Dang Gui |
| Source Family | Apiaceae (Umbelliferae) |
| Origin | Northwest China |
| Plant Part Used | Root |
| Extract | NR |
| Target Bacteria | Mycobacterium tuberculosis (Erdman) |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | Rifampin (0.05 µg/ml) |
| Inhibition [%] | NR |
| Activity [MIC] µg/ml | 1.4 µg/ml |
| Activity (In terms of dilution) | NR |
| Activity (Zone of inhibition in mm) | NR |
| Active Compound Identified | 9Z, 17 - Octadecadiene - 12, 14 - Diyne - 1, 11, 16 - Triol, 1 - Acetate |
| PubChem ID | NR |
| Ethnomedicinal Information | NR |
| PubMed ID [Source Literature] | 18567055 |
| Extract Preparation | 8 kg of the pulverized roots of Angelica sinensis Diels were extracted with methanol and the extract sequentially partitioned with petroleum ether, CHCl3, and BuOH |
| Chemical Classification [Active Compound] | Aliphatic, Alkene, Alkyne, Ester, Alcohol, O-Acetyl |
| Media / Broth Used [Antimicrobial Assay/Test] | Middlebrook 7H12 medium |
| Cytotoxicity Assay [AID] | Against Vero cells |
| Molecular Weight | 332.199 |
| Molecular Formula | C20H28O4 |
| SMILES | C(=O)(C)OCCCCCCCC/C=C\C(O)C#CC#CC(C=C)O |
| XLogP | 4.117 |
| PSA | 66.760 |
| H-bond Donor | 2 |
| H-bond Acceptor | 4 |
| No. of Rotatable Bond Count | 12 |
| No. of Rings | 0 |
| No. of N | 0 |
| No. of O | 4 |
| 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
|
| Curator | KeyaMukherjee, reshmi, Farzana Shamsudeen, Vikramjitmandal |
