| Compound ID | 1484 |
| Compound Structure |  |
| Plant Source | Clavija procera Common Name: |
| Source Family | Theophrastaceae |
| Origin | Peru |
| Plant Part Used | Stems, bark |
| Extract | Ethanol (95 %) |
| Target Bacteria | Mycobacterium tuberculosis (H37Rv) |
| Assay / Test Done | Tetrazolium Microplate Assay (TEMA) |
| Positive Control Used (conc.) | Isoniazid (0.125 µg/ml), Rifampicin (0.063 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 3.1 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | Aegicerin |
| PubChem ID | NR |
| Ethnomedicinal Information | Tuberculosis |
| PubMed ID [Source Literature] | 16724857 |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Alicyclic, Pentacyclic, Terpene,Triterpene, Epoxy, Furanoid, Alcohol |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 456.360 |
| Molecular Formula | C30H48O3
|
| SMILES | C1CC(C(C2C1(C1C(CC2)(C2(C3(CC1)C1C(C(=O)C2)(CCC(C1)(C)C)CO3)C)C)C)(C)C)O |
| XLogP | 7.411 |
| PSA | 46.530 |
| H-bond Donor | 1 |
| H-bond Acceptor | 3 |
| No. of Rotatable Bond Count | 0 |
| No. of Rings | 6 |
| No. of N | 0 |
| No. of O | 3 |
| No. of S | 0 |
| Reference(s) | 1) Rojas R, Caviedes L, Aponte JC, Vaisberg AJ, Lewis WH, Lamas G, Sarasara C, Gilman RH, Hammond GB.Aegicerin, the first oleanane triterpene with wide-ranging antimycobacterial activity, isolated from Clavija procera.J Nat Prod. 2006 May;69(5):845-6
|
| Curator | |
| Compound ID | 3956 |
| Compound Structure |  |
| Plant Source | Clavija procera Common Name: |
| Source Family | Theophrastaceae |
| Origin | Peru |
| Plant Part Used | Stems, bark |
| Extract | Ethanol (95 %) |
| Target Bacteria | Mycobacterium tuberculosis (21 susceptible clinical isolates) |
| Assay / Test Done | Tetrazolium Microplate Assay (TEMA) |
| Positive Control Used (conc.) | Isoniazid (0.125 µg/ml), Rifampicin (0.063 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 1.6 - 3.1 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | Aegicerin |
| PubChem ID | NR |
| Ethnomedicinal Information | Tuberculosis |
| PubMed ID [Source Literature] | 16724857 |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Alicyclic, Pentacyclic, Terpene,Triterpene, Epoxy, Furanoid, Alcohol |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 456.360 |
| Molecular Formula | C30H48O3
|
| SMILES | C1CC(C(C2C1(C1C(CC2)(C2(C3(CC1)C1C(C(=O)C2)(CCC(C1)(C)C)CO3)C)C)C)(C)C)O |
| XLogP | 7.411 |
| PSA | 46.530 |
| H-bond Donor | 1 |
| H-bond Acceptor | 3 |
| No. of Rotatable Bond Count | 0 |
| No. of Rings | 6 |
| No. of N | 0 |
| No. of O | 3 |
| No. of S | 0 |
| Reference(s) | 1) Rojas R, Caviedes L, Aponte JC, Vaisberg AJ, Lewis WH, Lamas G, Sarasara C, Gilman RH, Hammond GB.Aegicerin, the first oleanane triterpene with wide-ranging antimycobacterial activity, isolated from Clavija procera.J Nat Prod. 2006 May;69(5):845-6
|
| Curator | |
| Compound ID | 3957 |
| Compound Structure |  |
| Plant Source | Clavija procera Common Name: |
| Source Family | Theophrastaceae |
| Origin | Peru |
| Plant Part Used | Stems, bark |
| Extract | Ethanol (95 %) |
| Target Bacteria | Mycobacterium tuberculosis (2 Isoniazid-resistant clinical isolates) |
| Assay / Test Done | Tetrazolium Microplate Assay (TEMA) |
| Positive Control Used (conc.) | Isoniazid (2 - 4 µg/ml), Rifampicin (0.063 - 0.125 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 1.6 - 3.1 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | Aegicerin |
| PubChem ID | NR |
| Ethnomedicinal Information | Tuberculosis |
| PubMed ID [Source Literature] | 16724857 |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Alicyclic, Pentacyclic, Terpene,Triterpene, Epoxy, Furanoid, Alcohol |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 456.360 |
| Molecular Formula | C30H48O3
|
| SMILES | C1CC(C(C2C1(C1C(CC2)(C2(C3(CC1)C1C(C(=O)C2)(CCC(C1)(C)C)CO3)C)C)C)(C)C)O |
| XLogP | 7.411 |
| PSA | 46.530 |
| H-bond Donor | 1 |
| H-bond Acceptor | 3 |
| No. of Rotatable Bond Count | 0 |
| No. of Rings | 6 |
| No. of N | 0 |
| No. of O | 3 |
| No. of S | 0 |
| Reference(s) | 1) Rojas R, Caviedes L, Aponte JC, Vaisberg AJ, Lewis WH, Lamas G, Sarasara C, Gilman RH, Hammond GB.Aegicerin, the first oleanane triterpene with wide-ranging antimycobacterial activity, isolated from Clavija procera.J Nat Prod. 2006 May;69(5):845-6
|
| Curator | |
| Compound ID | 3958 |
| Compound Structure |  |
| Plant Source | Clavija procera Common Name: |
| Source Family | Theophrastaceae |
| Origin | Peru |
| Plant Part Used | Stems, bark |
| Extract | Ethanol (95 %) |
| Target Bacteria | Mycobacterium tuberculosis (13 multidrug-resistant clinical isolates) |
| Assay / Test Done | Tetrazolium Microplate Assay (TEMA) |
| Positive Control Used (conc.) | Isoniazid (4 - >32 µg/ml), Rifampicin (2 - >16 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 1.6 - 3.1 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | Aegicerin |
| PubChem ID | NR |
| Ethnomedicinal Information | Tuberculosis |
| PubMed ID [Source Literature] | 16724857 |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Alicyclic, Pentacyclic, Terpene,Triterpene, Epoxy, Furanoid, Alcohol |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 456.360 |
| Molecular Formula | C30H48O3
|
| SMILES | C1CC(C(C2C1(C1C(CC2)(C2(C3(CC1)C1C(C(=O)C2)(CCC(C1)(C)C)CO3)C)C)C)(C)C)O |
| XLogP | 7.411 |
| PSA | 46.530 |
| H-bond Donor | 1 |
| H-bond Acceptor | 3 |
| No. of Rotatable Bond Count | 0 |
| No. of Rings | 6 |
| No. of N | 0 |
| No. of O | 3 |
| No. of S | 0 |
| Reference(s) | 1) Rojas R, Caviedes L, Aponte JC, Vaisberg AJ, Lewis WH, Lamas G, Sarasara C, Gilman RH, Hammond GB.Aegicerin, the first oleanane triterpene with wide-ranging antimycobacterial activity, isolated from Clavija procera.J Nat Prod. 2006 May;69(5):845-6
|
| Curator | |