| Compound ID | 1389 |
| Compound Structure | |
| Plant Source | Cassine papillosa (Hochst.) Kuntze Common Name: |
| Source Family | Celastraceae |
| Origin | Africa |
| Plant Part Used | Bark |
| Extract | Acetone |
| Target Bacteria | Mycobacterium tuberculosis |
| Assay / Test Done | |
| Positive Control Used (conc.) | |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 1000 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | |
| PubChem ID | NR |
| Ethnomedicinal Information | Chest congestion, tuberculosis |
| PubMed ID [Source Literature] | 10473184 |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | N/A |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Reference(s) | 1) Lall N, Meyer JJ.In vitro inhibition of drug-resistant and drug-sensitive strains of Mycobacterium tuberculosis by ethnobotanically selected South African plants.J Ethnopharmacol. 1999 Sep;66(3):347-54
|
| Curator | |
| Compound ID | 1711 |
| Compound Structure | |
| Plant Source | Euonymus atropurpureus Jacq. Common Name:Burningbush (English) |
| Source Family | Celastraceae |
| Origin | India |
| Plant Part Used | Mother tinture |
| Extract | Ethanol (95 %) |
| Target Bacteria | Mycobacterium tuberculosis H37Rv (human) |
| Assay / Test Done | Tube Dilution Test |
| Positive Control Used (conc.) | |
| Inhibition [%] | |
| Activity [MIC] µg/ml | |
| Activity (In terms of dilution) | 1:80 dilution |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | |
| PubChem ID | NR |
| Ethnomedicinal Information | Cathartic, increases the flow of bile, constipation, hepatic dearrangement, random screening |
| PubMed ID [Source Literature] | 2118130 |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | N/A |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Reference(s) | 1) Grange JM, Davey RW.Detection of antituberculous activity in plant extracts.J Appl Bacteriol. 1990 Jun;68(6):587-91
2) Anonymous, 1986. The Useful Plants of India. Council of Scientific and Industrial Research, New Delhi, India
|
| Curator | |
| Compound ID | 2148 |
| Compound Structure | |
| Plant Source | Maytenus senegalensis (Lam.) Excell Common Name: |
| Source Family | Celastraceae |
| Origin | Africa |
| Plant Part Used | Aerial |
| Extract | Acetone |
| Target Bacteria | Mycobacterium tuberculosis |
| Assay / Test Done | |
| Positive Control Used (conc.) | |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 1000 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | |
| PubChem ID | NR |
| Ethnomedicinal Information | Respiratory ailments, tuberculosis |
| PubMed ID [Source Literature] | 10473184 |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | N/A |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Reference(s) | 1) Lall N, Meyer JJ.In vitro inhibition of drug-resistant and drug-sensitive strains of Mycobacterium tuberculosis by ethnobotanically selected South African plants.J Ethnopharmacol. 1999 Sep;66(3):347-54
|
| Curator | |
| Compound ID | 3995 |
| Compound Structure |  |
| Plant Source | Microtropis japonica Common Name: |
| Source Family | Celastraceae |
| Origin | |
| Plant Part Used | |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis H37Rv |
| Assay / Test Done | |
| Positive Control Used (conc.) | |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 27 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | 15-acetoxyorbiculin |
| PubChem ID | NR |
| Ethnomedicinal Information | |
| PubMed ID [Source Literature] | |
| Extract Preparation | |
| Chemical Classification [Active Compound] | Alicyclic, Tricyclic, Terpene, Sesquiterpene, Furanoid, Benzoyl, O-Acetyl |
| Media / Broth Used [Antimicrobial Assay/Test] | |
| Cytotoxicity Assay [AID] | |
| Molecular Weight | 684.257 |
| Molecular Formula | C39H40O11
|
| SMILES | O=C(c1ccccc1)O[C@H]1[C@]23[C@H](C)C[C@H](OC(=O)c4ccccc4)[C@H](OC(=O)C)[C@@]2(OC(=O)C)[C@@H](OC(=O)c2ccccc2)C[C@H]1C(C)(C)O3 |
| XLogP | 10.473 |
| PSA | 140.730 |
| H-bond Donor | 0 |
| H-bond Acceptor | 11 |
| No. of Rotatable Bond Count | 13 |
| No. of Rings | 6 |
| No. of N | 0 |
| No. of O | 11 |
| No. of S | 0 |
| Reference(s) | 1) In silico Comparison of Antimycobacterial Natural Products with Known Antituberculosis Drugs. Marlene Espinoza-Moraga, Nicholas M. Njuguna, Grace Mugumbate, Julio Caballero, and Kelly Chibale. Journal of Chemical Information and Modeling 2013 53 (3), 649-660
2) García, A., Bocanegra-García, V., Palma-Nicolás, J. P., Rivera, G. Vennerstrom, J. L. Recent Advances in Antitubercular Natural Products. Eur. J. Med. Chem. 2012, 49, 1-23
|
| Curator | |
| Compound ID | 3996 |
| Compound Structure |  |
| Plant Source | Microtropis japonica Common Name: |
| Source Family | Celastraceae |
| Origin | |
| Plant Part Used | |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis H37Rv |
| Assay / Test Done | |
| Positive Control Used (conc.) | |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 15 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | Salasol A |
| PubChem ID | NR |
| Ethnomedicinal Information | |
| PubMed ID [Source Literature] | |
| Extract Preparation | |
| Chemical Classification [Active Compound] | Alicyclic, Tricyclic, Terpene, Sesquiterpene, Furanoid, Benzoyl, O-Acetyl |
| Media / Broth Used [Antimicrobial Assay/Test] | |
| Cytotoxicity Assay [AID] | |
| Molecular Weight | 518.215 |
| Molecular Formula | C27H34O10
|
| SMILES | O=C(C)O[C@H]1[C@]23[C@H](C)C[C@H](OC(=O)C)[C@H](O)[C@@]2(OC(=O)C)[C@@H](OC(=O)c2ccccc2)C[C@H]1C(C)(C)O3 |
| XLogP | 4.241 |
| PSA | 134.660 |
| H-bond Donor | 1 |
| H-bond Acceptor | 10 |
| No. of Rotatable Bond Count | 9 |
| No. of Rings | 4 |
| No. of N | 0 |
| No. of O | 10 |
| No. of S | 0 |
| Reference(s) | 1) In silico Comparison of Antimycobacterial Natural Products with Known Antituberculosis Drugs. Marlene Espinoza-Moraga, Nicholas M. Njuguna, Grace Mugumbate, Julio Caballero, and Kelly Chibale. Journal of Chemical Information and Modeling 2013 53 (3), 649-660
2) García, A., Bocanegra-García, V., Palma-Nicolás, J. P., Rivera, G. Vennerstrom, J. L. Recent Advances in Antitubercular Natural Products. Eur. J. Med. Chem. 2012, 49, 1-23
|
| Curator | |
| Compound ID | 3997 |
| Compound Structure |  |
| Plant Source | Microtropis japonica Common Name: |
| Source Family | Celastraceae |
| Origin | |
| Plant Part Used | |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis H37Rv |
| Assay / Test Done | |
| Positive Control Used (conc.) | |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 16 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | Celahin C |
| PubChem ID | NR |
| Ethnomedicinal Information | |
| PubMed ID [Source Literature] | |
| Extract Preparation | |
| Chemical Classification [Active Compound] | Alicyclic, Tricyclic, Terpene, Sesquiterpene, Furanoid, Benzoyl, O-Acetyl |
| Media / Broth Used [Antimicrobial Assay/Test] | |
| Cytotoxicity Assay [AID] | |
| Molecular Weight | 518.215 |
| Molecular Formula | C27H34O10
|
| SMILES | O=C(C)O[C@H]1[C@]23[C@H](C)C[C@H](O)[C@H](OC(=O)C)[C@@]2(OC(=O)C)[C@@H](OC(=O)c2ccccc2)C[C@H]1C(C)(C)O3 |
| XLogP | 4.241 |
| PSA | 134.660 |
| H-bond Donor | 1 |
| H-bond Acceptor | 10 |
| No. of Rotatable Bond Count | 9 |
| No. of Rings | 4 |
| No. of N | 0 |
| No. of O | 10 |
| No. of S | 0 |
| Reference(s) | 1) In silico Comparison of Antimycobacterial Natural Products with Known Antituberculosis Drugs. Marlene Espinoza-Moraga, Nicholas M. Njuguna, Grace Mugumbate, Julio Caballero, and Kelly Chibale. Journal of Chemical Information and Modeling 2013 53 (3), 649-660
2) García, A., Bocanegra-García, V., Palma-Nicolás, J. P., Rivera, G. Vennerstrom, J. L. Recent Advances in Antitubercular Natural Products. Eur. J. Med. Chem. 2012, 49, 1-23
|
| Curator | |
| Compound ID | 3998 |
| Compound Structure |  |
| Plant Source | Microtropis fokienensis Common Name: |
| Source Family | Celastraceae |
| Origin | |
| Plant Part Used | |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis (90-221387) |
| Assay / Test Done | |
| Positive Control Used (conc.) | |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 12.5 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | EJMC4 |
| PubChem ID | NR |
| Ethnomedicinal Information | |
| PubMed ID [Source Literature] | |
| Extract Preparation | |
| Chemical Classification [Active Compound] | Alicyclic, Tricyclic, Terpene, Sesquiterpene, Furanoid, Benzoyl, O-Acetyl |
| Media / Broth Used [Antimicrobial Assay/Test] | |
| Cytotoxicity Assay [AID] | |
| Molecular Weight | 642.246 |
| Molecular Formula | C37H38O10
|
| SMILES | O=C(c1ccccc1)O[C@H]1[C@]23[C@H](C)C[C@H](O)[C@H](OC(=O)C)[C@@]2(OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C[C@H]1C(C)(C)O3 |
| XLogP | 9.733 |
| PSA | 134.660 |
| H-bond Donor | 1 |
| H-bond Acceptor | 10 |
| No. of Rotatable Bond Count | 11 |
| No. of Rings | 6 |
| No. of N | 0 |
| No. of O | 10 |
| No. of S | 0 |
| Reference(s) | 1) In silico Comparison of Antimycobacterial Natural Products with Known Antituberculosis Drugs. Marlene Espinoza-Moraga, Nicholas M. Njuguna, Grace Mugumbate, Julio Caballero, and Kelly Chibale. Journal of Chemical Information and Modeling 2013 53 (3), 649-660
2) García, A., Bocanegra-García, V., Palma-Nicolás, J. P., Rivera, G. Vennerstrom, J. L. Recent Advances in Antitubercular Natural Products. Eur. J. Med. Chem. 2012, 49, 1-23
|
| Curator | |
| Compound ID | 3999 |
| Compound Structure |  |
| Plant Source | Microtropis fokienensis Common Name: |
| Source Family | Celastraceae |
| Origin | |
| Plant Part Used | |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis (90-221387) |
| Assay / Test Done | |
| Positive Control Used (conc.) | |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 10 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | EJMC5 |
| PubChem ID | NR |
| Ethnomedicinal Information | |
| PubMed ID [Source Literature] | |
| Extract Preparation | |
| Chemical Classification [Active Compound] | Alicyclic, Tricyclic, Terpene, Sesquiterpene, Furanoid, Benzoyl, O-Acetyl |
| Media / Broth Used [Antimicrobial Assay/Test] | |
| Cytotoxicity Assay [AID] | |
| Molecular Weight | 642.246 |
| Molecular Formula | C37H38O10
|
| SMILES | O=C(c1ccccc1)O[C@H]1[C@]23[C@H](C)C[C@H](OC(=O)C)[C@H](O)[C@@]2(OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C[C@H]1C(C)(C)O3 |
| XLogP | 9.733 |
| PSA | 134.660 |
| H-bond Donor | 1 |
| H-bond Acceptor | 10 |
| No. of Rotatable Bond Count | 11 |
| No. of Rings | 6 |
| No. of N | 0 |
| No. of O | 10 |
| No. of S | 0 |
| Reference(s) | 1) In silico Comparison of Antimycobacterial Natural Products with Known Antituberculosis Drugs. Marlene Espinoza-Moraga, Nicholas M. Njuguna, Grace Mugumbate, Julio Caballero, and Kelly Chibale. Journal of Chemical Information and Modeling 2013 53 (3), 649-660
2) García, A., Bocanegra-García, V., Palma-Nicolás, J. P., Rivera, G. Vennerstrom, J. L. Recent Advances in Antitubercular Natural Products. Eur. J. Med. Chem. 2012, 49, 1-23
|
| Curator | |
| Compound ID | 4000 |
| Compound Structure |  |
| Plant Source | Microtropis fokienensis Common Name: |
| Source Family | Celastraceae |
| Origin | |
| Plant Part Used | |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis (90-221387) |
| Assay / Test Done | |
| Positive Control Used (conc.) | |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 32 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | Mutangin |
| PubChem ID | NR |
| Ethnomedicinal Information | |
| PubMed ID [Source Literature] | |
| Extract Preparation | |
| Chemical Classification [Active Compound] | Alicyclic, Tricyclic, Terpene, Sesquiterpene, Furanoid, Benzoyl, O-Acetyl |
| Media / Broth Used [Antimicrobial Assay/Test] | |
| Cytotoxicity Assay [AID] | |
| Molecular Weight | 622.241 |
| Molecular Formula | C34H38O11
|
| SMILES | O=C(C)O[C@H]1[C@]23[C@H](C)C[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@]2(OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C[C@H]1C(C)(C)O3 |
| XLogP | 7.727 |
| PSA | 140.730 |
| H-bond Donor | 0 |
| H-bond Acceptor | 11 |
| No. of Rotatable Bond Count | 12 |
| No. of Rings | 5 |
| No. of N | 0 |
| No. of O | 11 |
| No. of S | 0 |
| Reference(s) | 1) In silico Comparison of Antimycobacterial Natural Products with Known Antituberculosis Drugs. Marlene Espinoza-Moraga, Nicholas M. Njuguna, Grace Mugumbate, Julio Caballero, and Kelly Chibale. Journal of Chemical Information and Modeling 2013 53 (3), 649-660
2) García, A., Bocanegra-García, V., Palma-Nicolás, J. P., Rivera, G. Vennerstrom, J. L. Recent Advances in Antitubercular Natural Products. Eur. J. Med. Chem. 2012, 49, 1-23
|
| Curator | |
| Compound ID | 4001 |
| Compound Structure |  |
| Plant Source | Microtropis fokienensis Common Name: |
| Source Family | Celastraceae |
| Origin | |
| Plant Part Used | |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis (90-221387) |
| Assay / Test Done | |
| Positive Control Used (conc.) | |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 9.3 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | Orbiculin G |
| PubChem ID | NR |
| Ethnomedicinal Information | |
| PubMed ID [Source Literature] | |
| Extract Preparation | |
| Chemical Classification [Active Compound] | Alicyclic, Tricyclic, Terpene, Sesquiterpene, Furanoid, Benzoyl, O-Acetyl |
| Media / Broth Used [Antimicrobial Assay/Test] | |
| Cytotoxicity Assay [AID] | |
| Molecular Weight | 640.267 |
| Molecular Formula | C38H40O9
|
| SMILES | O=C(c1ccccc1)O[C@H]1[C@]23[C@H](C)C[C@H](OC(=O)c4ccccc4)[C@H](OC(=O)C)[C@@]2(C)[C@@H](OC(=O)c2ccccc2)C[C@H]1C(C)(C)O3 |
| XLogP | 11.038 |
| PSA | 114.430 |
| H-bond Donor | 0 |
| H-bond Acceptor | 9 |
| No. of Rotatable Bond Count | 11 |
| No. of Rings | 6 |
| No. of N | 0 |
| No. of O | 9 |
| No. of S | 0 |
| Reference(s) | 1) In silico Comparison of Antimycobacterial Natural Products with Known Antituberculosis Drugs. Marlene Espinoza-Moraga, Nicholas M. Njuguna, Grace Mugumbate, Julio Caballero, and Kelly Chibale. Journal of Chemical Information and Modeling 2013 53 (3), 649-660
2) García, A., Bocanegra-García, V., Palma-Nicolás, J. P., Rivera, G. Vennerstrom, J. L. Recent Advances in Antitubercular Natural Products. Eur. J. Med. Chem. 2012, 49, 1-23
|
| Curator | |
| Compound ID | 4002 |
| Compound Structure |  |
| Plant Source | Microtropis fokienensis Common Name: |
| Source Family | Celastraceae |
| Origin | |
| Plant Part Used | |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis (90-221387) |
| Assay / Test Done | |
| Positive Control Used (conc.) | |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 11 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | Triptogelin G-2 |
| PubChem ID | NR |
| Ethnomedicinal Information | |
| PubMed ID [Source Literature] | |
| Extract Preparation | |
| Chemical Classification [Active Compound] | Alicyclic, Tricyclic, Terpene, Sesquiterpene, Furanoid, Benzoyl, O-Acetyl |
| Media / Broth Used [Antimicrobial Assay/Test] | |
| Cytotoxicity Assay [AID] | |
| Molecular Weight | 428.256 |
| Molecular Formula | C26H36O5
|
| SMILES | C[C@H]1[C@]23[C@H](C)C[C@H](C)[C@H](OC(=O)C)[C@@]2(C)[C@@H](OC(=O)c2ccccc2)C[C@H]1C(C)(C)O3 |
| XLogP | 6.720 |
| PSA | 61.830 |
| H-bond Donor | 0 |
| H-bond Acceptor | 5 |
| No. of Rotatable Bond Count | 5 |
| No. of Rings | 4 |
| No. of N | 0 |
| No. of O | 5 |
| No. of S | 0 |
| Reference(s) | 1) In silico Comparison of Antimycobacterial Natural Products with Known Antituberculosis Drugs. Marlene Espinoza-Moraga, Nicholas M. Njuguna, Grace Mugumbate, Julio Caballero, and Kelly Chibale. Journal of Chemical Information and Modeling 2013 53 (3), 649-660
2) García, A., Bocanegra-García, V., Palma-Nicolás, J. P., Rivera, G. Vennerstrom, J. L. Recent Advances in Antitubercular Natural Products. Eur. J. Med. Chem. 2012, 49, 1-23
|
| Curator | |