| Compound ID | 1084 |
| Compound Structure |  |
| Plant Source | Ailanthus altissima (Mill.) Swingle syn. Altissima glandulsa Desf. Common Name:Tree of Heaven, Ailanto (English), Aralu (Sanskrit) |
| Source Family | Simaroubaceae |
| Origin | India, China |
| Plant Part Used | Mother tinture |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis |
| Assay / Test Done | |
| Positive Control Used (conc.) | Rifampin (0.031 µg/ml) |
| Inhibition [%] | 19 % |
| Activity [MIC] µg/ml | 12.5 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | Shinjulactone K |
| PubChem ID | 460541 |
| Ethnomedicinal Information | Used for treating mental illness, nausea and headache, treating cardiac palpitation, asthma and epilepsy |
| PubMed ID [Source Literature] | 17276637 |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Alicyclic, Tetracyclic, Terpene, Triterpene, Quassinoid, Lactone, O-Acetyl, Alcohol |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 408.215 |
| Molecular Formula | C22H32O7 |
| SMILES | O1[C@H]2[C@@]3([C@@H]([C@@]4([C@@H](C2)[C@@H](C[C@H](O)C4=O)C)C)[C@H](O)[C@H](OC(=O)C)[C@@H]([C@@H]3CC1=O)C)C |
| XLogP | 1.595 |
| PSA | 110.130 |
| H-bond Donor | 2 |
| H-bond Acceptor | 7 |
| No. of Rotatable Bond Count | 2 |
| No. of Rings | 4 |
| No. of N | 0 |
| No. of O | 7 |
| No. of S | 0 |
| Reference(s) | 1) Gautam R, Saklani A, Jachak SM.Indian medicinal plants as a source of antimycobacterial agents.J Ethnopharmacol. 2007 Mar 21;110(2):200-34
2) Rahman S, Fukamiya N, Okano M, Tagahara K, Lee KH.Anti-tuberculosis activity of quassinoids.Chem Pharm Bull (Tokyo). 1997 Sep;45(9):1527-9
|
| Curator | |
| Compound ID | 1243 |
| Compound Structure |  |
| Plant Source | Bauhinia saccocalyx Common Name: |
| Source Family | Fabaceae |
| Origin | Thailand |
| Plant Part Used | |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis H37Rv |
| Assay / Test Done | |
| Positive Control Used (conc.) | |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 6.25 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | Bauhinoxepins A |
| PubChem ID | 11723631 |
| Ethnomedicinal Information | Tuberculosis |
| PubMed ID [Source Literature] | |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Aromatic, Tetracyclic, Oxapin, Benzopyran, Phenol |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | Against Vero, human epidermoid carcinoma in the mouth (KB) and human breast cancer cells (BC) |
| Molecular Weight | 322.121 |
| Molecular Formula | C20H18O4
|
| SMILES | O1C(C=Cc2c1c(c(O)c1Oc3c(C=Cc21)c(O)ccc3)C)(C)C |
| XLogP | 3.407 |
| PSA | 58.920 |
| H-bond Donor | 2 |
| H-bond Acceptor | 4 |
| No. of Rotatable Bond Count | 0 |
| No. of Rings | 4 |
| No. of N | 0 |
| No. of O | 4 |
| No. of S | 0 |
| Reference(s) | 1) Prasat Kittakoop, Sombat Nopichai, Nuntawan Thongon, Panarat Charoenchai, Yodhathai Thebtaranonth.Bauhinoxepins A and B: New Antimycobacterial Dibenzo[b,f]oxepins from Bauhinia saccocalyx.Helvetica Chimica Acta, Volume 87, Issue 1, pages 175–179, January 2004
|
| Curator | |
| Compound ID | 1258 |
| Compound Structure |  |
| Plant Source | Bocconia arborea Common Name:Bocconia |
| Source Family | Papaveraceae |
| Origin | Mexico |
| Plant Part Used | Aerial |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis H37Rv |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | Isoniazid (0.06 µg/ml), Ethambutol (2 µg/ml), Rifampin (0.06 µg/ml), Streptomycin (0.50 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 25 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | Dihydrocheleritrine |
| PubChem ID | 485077 |
| Ethnomedicinal Information | Tuberculosis |
| PubMed ID [Source Literature] | |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 349.131 |
| Molecular Formula | C21H19NO4 |
| SMILES | O1c2cc3c4N(Cc5c(c4ccc3cc2OC1)ccc(OC)c5OC)C |
| XLogP | 3.232 |
| PSA | 40.160 |
| H-bond Donor | 0 |
| H-bond Acceptor | 5 |
| No. of Rotatable Bond Count | 2 |
| No. of Rings | 5 |
| No. of N | 1 |
| No. of O | 4 |
| No. of S | 0 |
| Reference(s) | 1) María del Rayo Camacho-Corona, Juan Manuel de Jesús Favela-Hernández, Omar González-Santiago, Elvira Garza-González, Gloria María Molina-Salinas, Salvador Said-Fernández, Guillermo Delgado, Julieta Luna-Herrerae.Evaluation of Some Plant-derived Secondary Metabolites Against Sensitive and Multidrug-resistant Mycobacterium tuberculosis.J. Mex. Chem. Soc. 2009, 53(2), 71-75
2) http://zipcodezoo.com/Plants/B/Bocconia_arborea/
|
| Curator | |
| Compound ID | 1259 |
| Compound Structure |  |
| Plant Source | Bocconia arborea Common Name:Bocconia |
| Source Family | Papaveraceae |
| Origin | Mexico |
| Plant Part Used | Aerial |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis H37Rv |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | Isoniazid (0.06 µg/ml), Ethambutol (2 µg/ml), Rifampin (0.06 µg/ml), Streptomycin (0.50 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 12.5 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | 6 - Methoxydihydrocheleritrine |
| PubChem ID | 189060 |
| Ethnomedicinal Information | Tuberculosis |
| PubMed ID [Source Literature] | |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 379.142 |
| Molecular Formula | C22H21NO5 |
| SMILES | O(C1N(c2c(c3c1c(OC)c(OC)cc3)ccc1c2cc2OCOc2c1)C)C |
| XLogP | 3.216 |
| PSA | 49.390 |
| H-bond Donor | 0 |
| H-bond Acceptor | 6 |
| No. of Rotatable Bond Count | 3 |
| No. of Rings | 5 |
| No. of N | 1 |
| No. of O | 5 |
| No. of S | 0 |
| Reference(s) | 1) María del Rayo Camacho-Corona, Juan Manuel de Jesús Favela-Hernández, Omar González-Santiago, Elvira Garza-González, Gloria María Molina-Salinas, Salvador Said-Fernández, Guillermo Delgado, Julieta Luna-Herrerae.Evaluation of Some Plant-derived Secondary Metabolites Against Sensitive and Multidrug-resistant Mycobacterium tuberculosis.J. Mex. Chem. Soc. 2009, 53(2), 71-75
2) http://zipcodezoo.com/Plants/B/Bocconia_arborea/
|
| Curator | |
| Compound ID | 1260 |
| Compound Structure |  |
| Plant Source | Bocconia arborea Common Name:Bocconia |
| Source Family | Papaveraceae |
| Origin | Mexico |
| Plant Part Used | Aerial |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis H37Rv |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | Isoniazid (0.06 µg/ml), Ethambutol (2 µg/ml), Rifampin (0.06 µg/ml), Streptomycin (0.50 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 50 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | 6, 12 - Dimethoxydihydrocheleritrine |
| PubChem ID | NR |
| Ethnomedicinal Information | Tuberculosis |
| PubMed ID [Source Literature] | |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 409.153 |
| Molecular Formula | C23H23NO6 |
| SMILES | C1cc(c(c2c1c1c(N(C2OC)C)c2c(c(c1)OC)cc1OCOc1c2)OC)OC |
| XLogP | 2.561 |
| PSA | 58.620 |
| H-bond Donor | 0 |
| H-bond Acceptor | 7 |
| No. of Rotatable Bond Count | 4 |
| No. of Rings | 5 |
| No. of N | 1 |
| No. of O | 6 |
| No. of S | 0 |
| Reference(s) | 1) María del Rayo Camacho-Corona, Juan Manuel de Jesús Favela-Hernández, Omar González-Santiago, Elvira Garza-González, Gloria María Molina-Salinas, Salvador Said-Fernández, Guillermo Delgado, Julieta Luna-Herrerae.Evaluation of Some Plant-derived Secondary Metabolites Against Sensitive and Multidrug-resistant Mycobacterium tuberculosis.J. Mex. Chem. Soc. 2009, 53(2), 71-75
2) http://zipcodezoo.com/Plants/B/Bocconia_arborea/
|
| Curator | |
| Compound ID | 1261 |
| Compound Structure |  |
| Plant Source | Bocconia arborea Common Name:Bocconia |
| Source Family | Papaveraceae |
| Origin | Mexico |
| Plant Part Used | Aerial |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis H37Rv |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | Isoniazid (0.06 µg/ml), Ethambutol (2 µg/ml), Rifampin (0.06 µg/ml), Streptomycin (0.50 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 50 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | 6 - Methoxydihydrosanguinarine |
| PubChem ID | 14847270 |
| Ethnomedicinal Information | Tuberculosis |
| PubMed ID [Source Literature] | |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 363.111 |
| Molecular Formula | C21H17NO5 |
| SMILES | O(C1N(c2c(c3c1c1OCOc1cc3)ccc1c2cc2OCOc2c1)C)C |
| XLogP | 3.143 |
| PSA | 49.390 |
| H-bond Donor | 0 |
| H-bond Acceptor | 6 |
| No. of Rotatable Bond Count | 1 |
| No. of Rings | 6 |
| No. of N | 1 |
| No. of O | 5 |
| No. of S | 0 |
| Reference(s) | 1) María del Rayo Camacho-Corona, Juan Manuel de Jesús Favela-Hernández, Omar González-Santiago, Elvira Garza-González, Gloria María Molina-Salinas, Salvador Said-Fernández, Guillermo Delgado, Julieta Luna-Herrerae.Evaluation of Some Plant-derived Secondary Metabolites Against Sensitive and Multidrug-resistant Mycobacterium tuberculosis.J. Mex. Chem. Soc. 2009, 53(2), 71-75
2) http://zipcodezoo.com/Plants/B/Bocconia_arborea/
|
| Curator | |
| Compound ID | 1262 |
| Compound Structure |  |
| Plant Source | Bocconia arborea Common Name:Bocconia |
| Source Family | Papaveraceae |
| Origin | Mexico |
| Plant Part Used | Aerial |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis H37Rv |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | Isoniazid (0.06 µg/ml), Ethambutol (2 µg/ml), Rifampin (0.06 µg/ml), Streptomycin (0.50 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 12.5 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | 6 - Methoxydihydrochelirubine |
| PubChem ID | 15932479 |
| Ethnomedicinal Information | Tuberculosis |
| PubMed ID [Source Literature] | |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 393.121 |
| Molecular Formula | C22H19NO6 |
| SMILES | O(C1N(c2c(c3c1c1OCOc1cc3OC)ccc1c2cc2OCOc2c1)C)C |
| XLogP | 2.699 |
| PSA | 58.620 |
| H-bond Donor | 0 |
| H-bond Acceptor | 7 |
| No. of Rotatable Bond Count | 2 |
| No. of Rings | 6 |
| No. of N | 1 |
| No. of O | 6 |
| No. of S | 0 |
| Reference(s) | 1) María del Rayo Camacho-Corona, Juan Manuel de Jesús Favela-Hernández, Omar González-Santiago, Elvira Garza-González, Gloria María Molina-Salinas, Salvador Said-Fernández, Guillermo Delgado, Julieta Luna-Herrerae.Evaluation of Some Plant-derived Secondary Metabolites Against Sensitive and Multidrug-resistant Mycobacterium tuberculosis.J. Mex. Chem. Soc. 2009, 53(2), 71-75
2) http://zipcodezoo.com/Plants/B/Bocconia_arborea/
|
| Curator | |
| Compound ID | 1263 |
| Compound Structure |  |
| Plant Source | Bocconia arborea Common Name:Bocconia |
| Source Family | Papaveraceae |
| Origin | Mexico |
| Plant Part Used | Aerial |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis (345) |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | Streptomycin (3.125 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | > 200 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | Dihydrocheleritrine |
| PubChem ID | 485077 |
| Ethnomedicinal Information | Tuberculosis |
| PubMed ID [Source Literature] | |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 349.131 |
| Molecular Formula | C21H19NO4 |
| SMILES | O1c2cc3c4N(Cc5c(c4ccc3cc2OC1)ccc(OC)c5OC)C |
| XLogP | 3.232 |
| PSA | 40.160 |
| H-bond Donor | 0 |
| H-bond Acceptor | 5 |
| No. of Rotatable Bond Count | 2 |
| No. of Rings | 5 |
| No. of N | 1 |
| No. of O | 4 |
| No. of S | 0 |
| Reference(s) | 1) María del Rayo Camacho-Corona, Juan Manuel de Jesús Favela-Hernández, Omar González-Santiago, Elvira Garza-González, Gloria María Molina-Salinas, Salvador Said-Fernández, Guillermo Delgado, Julieta Luna-Herrerae.Evaluation of Some Plant-derived Secondary Metabolites Against Sensitive and Multidrug-resistant Mycobacterium tuberculosis.J. Mex. Chem. Soc. 2009, 53(2), 71-75
2) http://zipcodezoo.com/Plants/B/Bocconia_arborea/
|
| Curator | |
| Compound ID | 1264 |
| Compound Structure |  |
| Plant Source | Bocconia arborea Common Name:Bocconia |
| Source Family | Papaveraceae |
| Origin | Mexico |
| Plant Part Used | Aerial |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis (345) |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | Streptomycin (3.125 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 50 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | 6 - Methoxydihydrocheleritrine |
| PubChem ID | 189060 |
| Ethnomedicinal Information | Tuberculosis |
| PubMed ID [Source Literature] | |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 379.142 |
| Molecular Formula | C22H21NO5 |
| SMILES | O(C1N(c2c(c3c1c(OC)c(OC)cc3)ccc1c2cc2OCOc2c1)C)C |
| XLogP | 3.216 |
| PSA | 49.390 |
| H-bond Donor | 0 |
| H-bond Acceptor | 6 |
| No. of Rotatable Bond Count | 3 |
| No. of Rings | 5 |
| No. of N | 1 |
| No. of O | 5 |
| No. of S | 0 |
| Reference(s) | 1) María del Rayo Camacho-Corona, Juan Manuel de Jesús Favela-Hernández, Omar González-Santiago, Elvira Garza-González, Gloria María Molina-Salinas, Salvador Said-Fernández, Guillermo Delgado, Julieta Luna-Herrerae.Evaluation of Some Plant-derived Secondary Metabolites Against Sensitive and Multidrug-resistant Mycobacterium tuberculosis.J. Mex. Chem. Soc. 2009, 53(2), 71-75
2) http://zipcodezoo.com/Plants/B/Bocconia_arborea/
|
| Curator | |
| Compound ID | 1265 |
| Compound Structure |  |
| Plant Source | Bocconia arborea Common Name:Bocconia |
| Source Family | Papaveraceae |
| Origin | Mexico |
| Plant Part Used | Aerial |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis (345) |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | Streptomycin (3.125 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | > 200 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | 6, 12 - Dimethoxydihydrocheleritrine |
| PubChem ID | NR |
| Ethnomedicinal Information | Tuberculosis |
| PubMed ID [Source Literature] | |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 409.153 |
| Molecular Formula | C23H23NO6 |
| SMILES | C1cc(c(c2c1c1c(N(C2OC)C)c2c(c(c1)OC)cc1OCOc1c2)OC)OC |
| XLogP | 2.561 |
| PSA | 58.620 |
| H-bond Donor | 0 |
| H-bond Acceptor | 7 |
| No. of Rotatable Bond Count | 4 |
| No. of Rings | 5 |
| No. of N | 1 |
| No. of O | 6 |
| No. of S | 0 |
| Reference(s) | 1) María del Rayo Camacho-Corona, Juan Manuel de Jesús Favela-Hernández, Omar González-Santiago, Elvira Garza-González, Gloria María Molina-Salinas, Salvador Said-Fernández, Guillermo Delgado, Julieta Luna-Herrerae.Evaluation of Some Plant-derived Secondary Metabolites Against Sensitive and Multidrug-resistant Mycobacterium tuberculosis.J. Mex. Chem. Soc. 2009, 53(2), 71-75
2) http://zipcodezoo.com/Plants/B/Bocconia_arborea/
|
| Curator | |
| Compound ID | 1266 |
| Compound Structure |  |
| Plant Source | Bocconia arborea Common Name:Bocconia |
| Source Family | Papaveraceae |
| Origin | Mexico |
| Plant Part Used | Aerial |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis (345) |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | Streptomycin (3.125 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 25 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | 6 - Methoxydihydrosanguinarine |
| PubChem ID | 14847270 |
| Ethnomedicinal Information | Tuberculosis |
| PubMed ID [Source Literature] | |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 363.111 |
| Molecular Formula | C21H17NO5 |
| SMILES | O(C1N(c2c(c3c1c1OCOc1cc3)ccc1c2cc2OCOc2c1)C)C |
| XLogP | 3.143 |
| PSA | 49.390 |
| H-bond Donor | 0 |
| H-bond Acceptor | 6 |
| No. of Rotatable Bond Count | 1 |
| No. of Rings | 6 |
| No. of N | 1 |
| No. of O | 5 |
| No. of S | 0 |
| Reference(s) | 1) María del Rayo Camacho-Corona, Juan Manuel de Jesús Favela-Hernández, Omar González-Santiago, Elvira Garza-González, Gloria María Molina-Salinas, Salvador Said-Fernández, Guillermo Delgado, Julieta Luna-Herrerae.Evaluation of Some Plant-derived Secondary Metabolites Against Sensitive and Multidrug-resistant Mycobacterium tuberculosis.J. Mex. Chem. Soc. 2009, 53(2), 71-75
2) http://zipcodezoo.com/Plants/B/Bocconia_arborea/
|
| Curator | |
| Compound ID | 1267 |
| Compound Structure |  |
| Plant Source | Bocconia arborea Common Name:Bocconia |
| Source Family | Papaveraceae |
| Origin | Mexico |
| Plant Part Used | Aerial |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis (345) |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | Streptomycin (3.125 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 12.5 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | 6 - Methoxydihydrochelirubine |
| PubChem ID | 15932479 |
| Ethnomedicinal Information | Tuberculosis |
| PubMed ID [Source Literature] | |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 393.121 |
| Molecular Formula | C22H19NO6 |
| SMILES | O(C1N(c2c(c3c1c1OCOc1cc3OC)ccc1c2cc2OCOc2c1)C)C |
| XLogP | 2.699 |
| PSA | 58.620 |
| H-bond Donor | 0 |
| H-bond Acceptor | 7 |
| No. of Rotatable Bond Count | 2 |
| No. of Rings | 6 |
| No. of N | 1 |
| No. of O | 6 |
| No. of S | 0 |
| Reference(s) | 1) María del Rayo Camacho-Corona, Juan Manuel de Jesús Favela-Hernández, Omar González-Santiago, Elvira Garza-González, Gloria María Molina-Salinas, Salvador Said-Fernández, Guillermo Delgado, Julieta Luna-Herrerae.Evaluation of Some Plant-derived Secondary Metabolites Against Sensitive and Multidrug-resistant Mycobacterium tuberculosis.J. Mex. Chem. Soc. 2009, 53(2), 71-75
2) http://zipcodezoo.com/Plants/B/Bocconia_arborea/
|
| Curator | |
| Compound ID | 1268 |
| Compound Structure |  |
| Plant Source | Bocconia arborea Common Name:Bocconia |
| Source Family | Papaveraceae |
| Origin | Mexico |
| Plant Part Used | Aerial |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis (M12) |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | Streptomycin (12.50 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | > 200 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | Dihydrocheleritrine |
| PubChem ID | 485077 |
| Ethnomedicinal Information | Tuberculosis |
| PubMed ID [Source Literature] | |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 349.131 |
| Molecular Formula | C21H19NO4 |
| SMILES | O1c2cc3c4N(Cc5c(c4ccc3cc2OC1)ccc(OC)c5OC)C |
| XLogP | 3.232 |
| PSA | 40.160 |
| H-bond Donor | 0 |
| H-bond Acceptor | 5 |
| No. of Rotatable Bond Count | 2 |
| No. of Rings | 5 |
| No. of N | 1 |
| No. of O | 4 |
| No. of S | 0 |
| Reference(s) | 1) María del Rayo Camacho-Corona, Juan Manuel de Jesús Favela-Hernández, Omar González-Santiago, Elvira Garza-González, Gloria María Molina-Salinas, Salvador Said-Fernández, Guillermo Delgado, Julieta Luna-Herrerae.Evaluation of Some Plant-derived Secondary Metabolites Against Sensitive and Multidrug-resistant Mycobacterium tuberculosis.J. Mex. Chem. Soc. 2009, 53(2), 71-75
2) http://zipcodezoo.com/Plants/B/Bocconia_arborea/
|
| Curator | |
| Compound ID | 1269 |
| Compound Structure |  |
| Plant Source | Bocconia arborea Common Name:Bocconia |
| Source Family | Papaveraceae |
| Origin | Mexico |
| Plant Part Used | Aerial |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis (M12) |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | Streptomycin (12.50 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 50 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | 6 - Methoxydihydrocheleritrine |
| PubChem ID | 189060 |
| Ethnomedicinal Information | Tuberculosis |
| PubMed ID [Source Literature] | |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 379.142 |
| Molecular Formula | C22H21NO5 |
| SMILES | O(C1N(c2c(c3c1c(OC)c(OC)cc3)ccc1c2cc2OCOc2c1)C)C |
| XLogP | 3.216 |
| PSA | 49.390 |
| H-bond Donor | 0 |
| H-bond Acceptor | 6 |
| No. of Rotatable Bond Count | 3 |
| No. of Rings | 5 |
| No. of N | 1 |
| No. of O | 5 |
| No. of S | 0 |
| Reference(s) | 1) María del Rayo Camacho-Corona, Juan Manuel de Jesús Favela-Hernández, Omar González-Santiago, Elvira Garza-González, Gloria María Molina-Salinas, Salvador Said-Fernández, Guillermo Delgado, Julieta Luna-Herrerae.Evaluation of Some Plant-derived Secondary Metabolites Against Sensitive and Multidrug-resistant Mycobacterium tuberculosis.J. Mex. Chem. Soc. 2009, 53(2), 71-75
2) http://zipcodezoo.com/Plants/B/Bocconia_arborea/
|
| Curator | |
| Compound ID | 1270 |
| Compound Structure |  |
| Plant Source | Bocconia arborea Common Name:Bocconia |
| Source Family | Papaveraceae |
| Origin | Mexico |
| Plant Part Used | Aerial |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis (M12) |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | Streptomycin (12.50 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | > 200 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | 6, 12 - Dimethoxydihydrocheleritrine |
| PubChem ID | NR |
| Ethnomedicinal Information | Tuberculosis |
| PubMed ID [Source Literature] | |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 409.153 |
| Molecular Formula | C23H23NO6 |
| SMILES | C1cc(c(c2c1c1c(N(C2OC)C)c2c(c(c1)OC)cc1OCOc1c2)OC)OC |
| XLogP | 2.561 |
| PSA | 58.620 |
| H-bond Donor | 0 |
| H-bond Acceptor | 7 |
| No. of Rotatable Bond Count | 4 |
| No. of Rings | 5 |
| No. of N | 1 |
| No. of O | 6 |
| No. of S | 0 |
| Reference(s) | 1) María del Rayo Camacho-Corona, Juan Manuel de Jesús Favela-Hernández, Omar González-Santiago, Elvira Garza-González, Gloria María Molina-Salinas, Salvador Said-Fernández, Guillermo Delgado, Julieta Luna-Herrerae.Evaluation of Some Plant-derived Secondary Metabolites Against Sensitive and Multidrug-resistant Mycobacterium tuberculosis.J. Mex. Chem. Soc. 2009, 53(2), 71-75
2) http://zipcodezoo.com/Plants/B/Bocconia_arborea/
|
| Curator | |
| Compound ID | 1271 |
| Compound Structure |  |
| Plant Source | Bocconia arborea Common Name:Bocconia |
| Source Family | Papaveraceae |
| Origin | Mexico |
| Plant Part Used | Aerial |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis (M12) |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | Streptomycin (12.50 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 50 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | 6 - Methoxydihydrosanguinarine |
| PubChem ID | 14847270 |
| Ethnomedicinal Information | Tuberculosis |
| PubMed ID [Source Literature] | |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 363.111 |
| Molecular Formula | C21H17NO5 |
| SMILES | O(C1N(c2c(c3c1c1OCOc1cc3)ccc1c2cc2OCOc2c1)C)C |
| XLogP | 3.143 |
| PSA | 49.390 |
| H-bond Donor | 0 |
| H-bond Acceptor | 6 |
| No. of Rotatable Bond Count | 1 |
| No. of Rings | 6 |
| No. of N | 1 |
| No. of O | 5 |
| No. of S | 0 |
| Reference(s) | 1) María del Rayo Camacho-Corona, Juan Manuel de Jesús Favela-Hernández, Omar González-Santiago, Elvira Garza-González, Gloria María Molina-Salinas, Salvador Said-Fernández, Guillermo Delgado, Julieta Luna-Herrerae.Evaluation of Some Plant-derived Secondary Metabolites Against Sensitive and Multidrug-resistant Mycobacterium tuberculosis.J. Mex. Chem. Soc. 2009, 53(2), 71-75
2) http://zipcodezoo.com/Plants/B/Bocconia_arborea/
|
| Curator | |
| Compound ID | 1272 |
| Compound Structure |  |
| Plant Source | Bocconia arborea Common Name:Bocconia |
| Source Family | Papaveraceae |
| Origin | Mexico |
| Plant Part Used | Aerial |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis (M12) |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | Streptomycin (12.50 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 12.5 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | 6 - Methoxydihydrochelirubine |
| PubChem ID | 15932479 |
| Ethnomedicinal Information | Tuberculosis |
| PubMed ID [Source Literature] | |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 393.121 |
| Molecular Formula | C22H19NO6 |
| SMILES | O(C1N(c2c(c3c1c1OCOc1cc3OC)ccc1c2cc2OCOc2c1)C)C |
| XLogP | 2.699 |
| PSA | 58.620 |
| H-bond Donor | 0 |
| H-bond Acceptor | 7 |
| No. of Rotatable Bond Count | 2 |
| No. of Rings | 6 |
| No. of N | 1 |
| No. of O | 6 |
| No. of S | 0 |
| Reference(s) | 1) María del Rayo Camacho-Corona, Juan Manuel de Jesús Favela-Hernández, Omar González-Santiago, Elvira Garza-González, Gloria María Molina-Salinas, Salvador Said-Fernández, Guillermo Delgado, Julieta Luna-Herrerae.Evaluation of Some Plant-derived Secondary Metabolites Against Sensitive and Multidrug-resistant Mycobacterium tuberculosis.J. Mex. Chem. Soc. 2009, 53(2), 71-75
2) http://zipcodezoo.com/Plants/B/Bocconia_arborea/
|
| Curator | |
| Compound ID | 1273 |
| Compound Structure |  |
| Plant Source | Bocconia arborea Common Name:Bocconia |
| Source Family | Papaveraceae |
| Origin | Mexico |
| Plant Part Used | Aerial |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis (M20) |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | Streptomycin (25 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | > 200 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | Dihydrocheleritrine |
| PubChem ID | 485077 |
| Ethnomedicinal Information | Tuberculosis |
| PubMed ID [Source Literature] | |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 349.131 |
| Molecular Formula | C21H19NO4 |
| SMILES | O1c2cc3c4N(Cc5c(c4ccc3cc2OC1)ccc(OC)c5OC)C |
| XLogP | 3.232 |
| PSA | 40.160 |
| H-bond Donor | 0 |
| H-bond Acceptor | 5 |
| No. of Rotatable Bond Count | 2 |
| No. of Rings | 5 |
| No. of N | 1 |
| No. of O | 4 |
| No. of S | 0 |
| Reference(s) | 1) María del Rayo Camacho-Corona, Juan Manuel de Jesús Favela-Hernández, Omar González-Santiago, Elvira Garza-González, Gloria María Molina-Salinas, Salvador Said-Fernández, Guillermo Delgado, Julieta Luna-Herrerae.Evaluation of Some Plant-derived Secondary Metabolites Against Sensitive and Multidrug-resistant Mycobacterium tuberculosis.J. Mex. Chem. Soc. 2009, 53(2), 71-75
2) http://zipcodezoo.com/Plants/B/Bocconia_arborea/
|
| Curator | |
| Compound ID | 1274 |
| Compound Structure |  |
| Plant Source | Bocconia arborea Common Name:Bocconia |
| Source Family | Papaveraceae |
| Origin | Mexico |
| Plant Part Used | Aerial |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis (M20) |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | Streptomycin (25 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 25 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | 6 - Methoxydihydrocheleritrine |
| PubChem ID | 189060 |
| Ethnomedicinal Information | Tuberculosis |
| PubMed ID [Source Literature] | |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 379.142 |
| Molecular Formula | C22H21NO5 |
| SMILES | O(C1N(c2c(c3c1c(OC)c(OC)cc3)ccc1c2cc2OCOc2c1)C)C |
| XLogP | 3.216 |
| PSA | 49.390 |
| H-bond Donor | 0 |
| H-bond Acceptor | 6 |
| No. of Rotatable Bond Count | 3 |
| No. of Rings | 5 |
| No. of N | 1 |
| No. of O | 5 |
| No. of S | 0 |
| Reference(s) | 1) María del Rayo Camacho-Corona, Juan Manuel de Jesús Favela-Hernández, Omar González-Santiago, Elvira Garza-González, Gloria María Molina-Salinas, Salvador Said-Fernández, Guillermo Delgado, Julieta Luna-Herrerae.Evaluation of Some Plant-derived Secondary Metabolites Against Sensitive and Multidrug-resistant Mycobacterium tuberculosis.J. Mex. Chem. Soc. 2009, 53(2), 71-75
2) http://zipcodezoo.com/Plants/B/Bocconia_arborea/
|
| Curator | |
| Compound ID | 1275 |
| Compound Structure |  |
| Plant Source | Bocconia arborea Common Name:Bocconia |
| Source Family | Papaveraceae |
| Origin | Mexico |
| Plant Part Used | Aerial |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis (M20) |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | Streptomycin (25 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | > 200 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | 6, 12 - Dimethoxydihydrocheleritrine |
| PubChem ID | NR |
| Ethnomedicinal Information | Tuberculosis |
| PubMed ID [Source Literature] | |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 409.153 |
| Molecular Formula | C23H23NO6 |
| SMILES | C1cc(c(c2c1c1c(N(C2OC)C)c2c(c(c1)OC)cc1OCOc1c2)OC)OC |
| XLogP | 2.561 |
| PSA | 58.620 |
| H-bond Donor | 0 |
| H-bond Acceptor | 7 |
| No. of Rotatable Bond Count | 4 |
| No. of Rings | 5 |
| No. of N | 1 |
| No. of O | 6 |
| No. of S | 0 |
| Reference(s) | 1) María del Rayo Camacho-Corona, Juan Manuel de Jesús Favela-Hernández, Omar González-Santiago, Elvira Garza-González, Gloria María Molina-Salinas, Salvador Said-Fernández, Guillermo Delgado, Julieta Luna-Herrerae.Evaluation of Some Plant-derived Secondary Metabolites Against Sensitive and Multidrug-resistant Mycobacterium tuberculosis.J. Mex. Chem. Soc. 2009, 53(2), 71-75
2) http://zipcodezoo.com/Plants/B/Bocconia_arborea/
|
| Curator | |
| Compound ID | 1276 |
| Compound Structure |  |
| Plant Source | Bocconia arborea Common Name:Bocconia |
| Source Family | Papaveraceae |
| Origin | Mexico |
| Plant Part Used | Aerial |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis (M20) |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | Streptomycin (25 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 12.5 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | 6 - Methoxydihydrosanguinarine |
| PubChem ID | 14847270 |
| Ethnomedicinal Information | Tuberculosis |
| PubMed ID [Source Literature] | |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 363.111 |
| Molecular Formula | C21H17NO5 |
| SMILES | O(C1N(c2c(c3c1c1OCOc1cc3)ccc1c2cc2OCOc2c1)C)C |
| XLogP | 3.143 |
| PSA | 49.390 |
| H-bond Donor | 0 |
| H-bond Acceptor | 6 |
| No. of Rotatable Bond Count | 1 |
| No. of Rings | 6 |
| No. of N | 1 |
| No. of O | 5 |
| No. of S | 0 |
| Reference(s) | 1) María del Rayo Camacho-Corona, Juan Manuel de Jesús Favela-Hernández, Omar González-Santiago, Elvira Garza-González, Gloria María Molina-Salinas, Salvador Said-Fernández, Guillermo Delgado, Julieta Luna-Herrerae.Evaluation of Some Plant-derived Secondary Metabolites Against Sensitive and Multidrug-resistant Mycobacterium tuberculosis.J. Mex. Chem. Soc. 2009, 53(2), 71-75
2) http://zipcodezoo.com/Plants/B/Bocconia_arborea/
|
| Curator | |
| Compound ID | 1277 |
| Compound Structure |  |
| Plant Source | Bocconia arborea Common Name:Bocconia |
| Source Family | Papaveraceae |
| Origin | Mexico |
| Plant Part Used | Aerial |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis (M20) |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | Streptomycin (25 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 12.5 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | 6 - Methoxydihydrochelirubine |
| PubChem ID | 15932479 |
| Ethnomedicinal Information | Tuberculosis |
| PubMed ID [Source Literature] | |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 393.121 |
| Molecular Formula | C22H19NO6 |
| SMILES | O(C1N(c2c(c3c1c1OCOc1cc3OC)ccc1c2cc2OCOc2c1)C)C |
| XLogP | 2.699 |
| PSA | 58.620 |
| H-bond Donor | 0 |
| H-bond Acceptor | 7 |
| No. of Rotatable Bond Count | 2 |
| No. of Rings | 6 |
| No. of N | 1 |
| No. of O | 6 |
| No. of S | 0 |
| Reference(s) | 1) María del Rayo Camacho-Corona, Juan Manuel de Jesús Favela-Hernández, Omar González-Santiago, Elvira Garza-González, Gloria María Molina-Salinas, Salvador Said-Fernández, Guillermo Delgado, Julieta Luna-Herrerae.Evaluation of Some Plant-derived Secondary Metabolites Against Sensitive and Multidrug-resistant Mycobacterium tuberculosis.J. Mex. Chem. Soc. 2009, 53(2), 71-75
2) http://zipcodezoo.com/Plants/B/Bocconia_arborea/
|
| Curator | |
| Compound ID | 1280 |
| Compound Structure |  |
| Plant Source | Borrichia frutescens L. Common Name:Sea Daisy |
| Source Family | Asteraceae (Compositae) |
| Origin | Southeastern USA |
| Plant Part Used | Flower, leaf, stem |
| Extract | Dichloromethane |
| Target Bacteria | Mycobacterium tuberculosis H37Rv |
| Assay / Test Done | |
| Positive Control Used (conc.) | Fusidic acid (4 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 8 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | (24R)-24,25-epoxycycloartan-3-one |
| PubChem ID | 469544 |
| Ethnomedicinal Information | Tuberculosis |
| PubMed ID [Source Literature] | 8988597 |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Alicyclic, Tetracyclic, Terpene, Triterpene, Cycloartane, Ketone, Epoxy |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | Against vero cells |
| Molecular Weight | 440.365 |
| Molecular Formula | C30H48O2 |
| SMILES | O=C1C([C@H]2[C@@]3([C@@]4(C3)[C@H]([C@]3([C@](CC4)([C@H](CC3)[C@@H](CC[C@H]3OC3(C)C)C)C)C)CC2)CC1)(C)C |
| XLogP | 9.983 |
| PSA | 29.600 |
| H-bond Donor | 0 |
| H-bond Acceptor | 2 |
| No. of Rotatable Bond Count | 4 |
| No. of Rings | 6 |
| No. of N | 0 |
| No. of O | 2 |
| No. of S | 0 |
| Reference(s) | 1) Cantrell CL, Lu T, Fronczek FR, Fischer NH, Adams LB, Franzblau SG.Antimycobacterial cycloartanes from Borrichia frutescens.J Nat Prod. 1996 Dec;59(12):1131-6
|
| Curator | |
| Compound ID | 1281 |
| Compound Structure |  |
| Plant Source | Borrichia frutescens L. Common Name:Sea Daisy |
| Source Family | Asteraceae (Compositae) |
| Origin | USA |
| Plant Part Used | Flower, leaf, stem |
| Extract | Dichloromethane |
| Target Bacteria | Mycobacterium tuberculosis H37Rv |
| Assay / Test Done | |
| Positive Control Used (conc.) | Fusidic acid (4 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 8 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | (3β, 24R) - 24, 25 - Epoxycycloartan - 3 - Ol |
| PubChem ID | 469545 |
| Ethnomedicinal Information | Tuberculosis |
| PubMed ID [Source Literature] | 8988597 |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Alicyclic, Tetracyclic, Terpene, Triterpene, Cycloartane, Epoxy, Alcohol |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | Against Vero cells |
| Molecular Weight | 442.381 |
| Molecular Formula | C30H50O2 |
| SMILES | O[C@H]1C([C@H]2[C@@]3([C@@]4(C3)[C@H]([C@]3([C@](CC4)([C@H](CC3)[C@@H](CC[C@H]3OC3(C)C)C)C)C)CC2)CC1)(C)C |
| XLogP | 10.590 |
| PSA | 32.760 |
| H-bond Donor | 1 |
| H-bond Acceptor | 2 |
| No. of Rotatable Bond Count | 4 |
| No. of Rings | 6 |
| No. of N | 0 |
| No. of O | 2 |
| No. of S | 0 |
| Reference(s) | 1) Cantrell CL, Lu T, Fronczek FR, Fischer NH, Adams LB, Franzblau SG.Antimycobacterial cycloartanes from Borrichia frutescens.J Nat Prod. 1996 Dec;59(12):1131-6
|
| Curator | |
| Compound ID | 1282 |
| Compound Structure |  |
| Plant Source | Borrichia frutescens L. Common Name:Sea Daisy |
| Source Family | Asteraceae (Compositae) |
| Origin | USA |
| Plant Part Used | Flower, leaf, stem |
| Extract | Dichloromethane |
| Target Bacteria | Mycobacterium tuberculosis H37Rv |
| Assay / Test Done | |
| Positive Control Used (conc.) | Fusidic acid (4 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 64 - 128 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | (23R)-3-Oxolanosta-8,24-dien-23-Ol |
| PubChem ID | 469546 |
| Ethnomedicinal Information | Tuberculosis |
| PubMed ID [Source Literature] | 8988597 |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Alicyclic, Tetracyclic, Steroid, Ketone, Prenylated |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | Against Vero cells |
| Molecular Weight | 440.365 |
| Molecular Formula | C30H48O2
|
| SMILES | O=C1C([C@H]2[C@@](C3=C([C@]4([C@@]([C@H](CC4)[C@@H](C[C@@H](O)C=C(C)C)C)(CC3)C)C)CC2)(CC1)C)(C)C |
| XLogP | 7.784 |
| PSA | 37.300 |
| H-bond Donor | 1 |
| H-bond Acceptor | 2 |
| No. of Rotatable Bond Count | 4 |
| No. of Rings | 4 |
| No. of N | 0 |
| No. of O | 2 |
| No. of S | 0 |
| Reference(s) | 1) Cantrell CL, Lu T, Fronczek FR, Fischer NH, Adams LB, Franzblau SG.Antimycobacterial cycloartanes from Borrichia frutescens.J Nat Prod. 1996 Dec;59(12):1131-6
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| Curator | |