| Compound ID | 1478 |
| Compound Structure |  |
| Plant Source | Clausena excavata Burm. f. Common Name:Clausena (English) |
| Source Family | Rutaceae |
| Origin | India |
| Plant Part Used | Rhizome |
| Extract | Chloroform |
| Target Bacteria | Mycobacterium tuberculosis |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | Isoniazid (0.040 – 0.090 µg/ml), Kanamycin sulphate (2 – 5 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 200 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | Mukonal |
| PubChem ID | 504068 |
| Ethnomedicinal Information | Fever, indigestion, malaria, colic, muscular pain, diuretic and as tonic; the allied species C. wampi Blanco for bronchitis, in Thai folk medicine for cold |
| PubMed ID [Source Literature] | 12624822 |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Aromatic, Tricyclic, Alkaloid, Aldehyde, Phenol |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 211.063 |
| Molecular Formula | C13H9NO2
|
| SMILES | Oc1cc2[nH]c3c(c2cc1C=O)cccc3 |
| XLogP | 2.984 |
| PSA | 53.090 |
| H-bond Donor | 2 |
| H-bond Acceptor | 3 |
| No. of Rotatable Bond Count | 1 |
| No. of Rings | 3 |
| No. of N | 1 |
| No. of O | 2 |
| No. of S | 0 |
| Reference(s) | 1) Sunthitikawinsakul A, Kongkathip N, Kongkathip B, Phonnakhu S, Daly JW, Spande TF, Nimit Y, Rochanaruangrai S.Coumarins and carbazoles from Clausena excavata exhibited antimycobacterial and antifungal activities.Planta Med. 2003 Feb;69(2):155-7
2) Kirtikar, K.R., Basu, B.D., 1935. Indian Medicinal Plants, vols. 1–4. Lalit Mohan Basu, Allahabad, India
|
| Curator | |
| Compound ID | 1480 |
| Compound Structure |  |
| Plant Source | Clausena excavata Burm. f. Common Name:Clausena (English) |
| Source Family | Rutaceae |
| Origin | India |
| Plant Part Used | Rhizome |
| Extract | Hexane |
| Target Bacteria | Mycobacterium tuberculosis |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | Isoniazid (0.040 – 0.090 µg/ml), Kanamycin sulphate (2 – 5 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 100 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | 2 - Hydroxy - 3 - Formyl - 7 - Methoxycarbazole |
| PubChem ID | 189687 |
| Ethnomedicinal Information | Fever, indigestion, malaria, colic, muscular pain, diuretic and as tonic; the allied species C. wampi Blanco for bronchitis, in Thai folk medicine for cold |
| PubMed ID [Source Literature] | 12624822 |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Aromatic, Tricyclic, Alkaloid, Carbazole, Aldehyde, Ether, Phenol |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 241.074 |
| Molecular Formula | C14H11NO3
|
| SMILES | O(c1cc2[nH]c3c(c2cc1)cc(c(O)c3)C=O)C |
| XLogP | 2.329 |
| PSA | 62.320 |
| H-bond Donor | 2 |
| H-bond Acceptor | 4 |
| No. of Rotatable Bond Count | 2 |
| No. of Rings | 3 |
| No. of N | 1 |
| No. of O | 3 |
| No. of S | 0 |
| Reference(s) | 1) Sunthitikawinsakul A, Kongkathip N, Kongkathip B, Phonnakhu S, Daly JW, Spande TF, Nimit Y, Rochanaruangrai S.Coumarins and carbazoles from Clausena excavata exhibited antimycobacterial and antifungal activities.Planta Med. 2003 Feb;69(2):155-7
2) Kirtikar, K.R., Basu, B.D., 1935. Indian Medicinal Plants, vols. 1–4. Lalit Mohan Basu, Allahabad, India
|
| Curator | |
| Compound ID | 2048 |
| Compound Structure |  |
| Plant Source | Lippia alba (Miller) N. E.Brown Common Name: |
| Source Family | Verbenaceae |
| Origin | Colombia, Puerto Rico, India |
| Plant Part Used | Leaf, stem |
| Extract | Essential oil (2.5 %) |
| Target Bacteria | Mycobacterium tuberculosis H37Rv |
| Assay / Test Done | Macrodilution method in glass tubes |
| Positive Control Used (conc.) | Rifampin (0.50 µg/ml), Isoniazid (0.03 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 130 ± 95 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | Geranial |
| PubChem ID | 638011 |
| Ethnomedicinal Information | Digestive troubles in general, nausea, bronchitis, sore throat, flu, cough, cold, hypertension, skin diseases, wounds, stomach ache, nervous complaints, folklore medicine of Puerto Rico |
| PubMed ID [Source Literature] | 19753839 |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Aliphatic, Alkene, Terpene, Monoterpene, Aldehyde |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 152.120 |
| Molecular Formula | C10H16O
|
| SMILES | O=C/C=C(/CCC=C(C)C)C |
| XLogP | 2.701 |
| PSA | 17.070 |
| H-bond Donor | 0 |
| H-bond Acceptor | 1 |
| No. of Rotatable Bond Count | 4 |
| No. of Rings | 0 |
| No. of N | 0 |
| No. of O | 1 |
| No. of S | 0 |
| Reference(s) | 1) Bueno-Sánchez JG, Martínez-Morales JR, Stashenko EE, Ribón W.Anti-tubercular activity of eleven aromatic and medicinal plants occurring in Colombia.Biomedica. 2009 Mar;29(1):51-60
2) Thierry Hennebelle, Sevser Sahpaz, Henry Joseph, François Bailleul.Ethnopharmacology of Lippia alba.Journal of Ethnopharmacology, Volume 116, Issue 2, 5 March 2008, Pages 211-222
|
| Curator | |
| Compound ID | 2049 |
| Compound Structure |  |
| Plant Source | Lippia alba (Miller) N. E.Brown Common Name: |
| Source Family | Verbenaceae |
| Origin | Colombia, Puerto Rico, India |
| Plant Part Used | Leaf, stem |
| Extract | Essential oil (2.5 %) |
| Target Bacteria | Mycobacterium tuberculosis H37Rv |
| Assay / Test Done | Macrodilution method in glass tubes |
| Positive Control Used (conc.) | Rifampin (0.50 µg/ml), Isoniazid (0.03 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 130 ± 95 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | Neral |
| PubChem ID | 643779 |
| Ethnomedicinal Information | Digestive troubles in general, nausea, bronchitis, sore throat, flu, cough, cold, hypertension, skin diseases, wounds, stomach ache, nervous complaints, folklore medicine of Puerto Rico |
| PubMed ID [Source Literature] | 19753839 |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Aliphatic, Alkene, Aldehyde |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 152.120 |
| Molecular Formula | C10H16O
|
| SMILES | O=C/C=C(CCC=C(C)C)/C |
| XLogP | 2.701 |
| PSA | 17.070 |
| H-bond Donor | 0 |
| H-bond Acceptor | 1 |
| No. of Rotatable Bond Count | 4 |
| No. of Rings | 0 |
| No. of N | 0 |
| No. of O | 1 |
| No. of S | 0 |
| Reference(s) | 1) Bueno-Sánchez JG, Martínez-Morales JR, Stashenko EE, Ribón W.Anti-tubercular activity of eleven aromatic and medicinal plants occurring in Colombia.Biomedica. 2009 Mar;29(1):51-60
2) Thierry Hennebelle, Sevser Sahpaz, Henry Joseph, François Bailleul.Ethnopharmacology of Lippia alba.Journal of Ethnopharmacology, Volume 116, Issue 2, 5 March 2008, Pages 211-222
|
| Curator | |
| Compound ID | 2288 |
| Compound Structure |  |
| Plant Source | Parmelia saxatilis L. Common Name:Lichen |
| Source Family | Parmeliaceae |
| Origin | British Columbia |
| Plant Part Used | |
| Extract | |
| Target Bacteria | Mycobacterium aurum |
| Assay / Test Done | |
| Positive Control Used (conc.) | Rifampin (2 µg/ml), Streptomycin (0.25 µg/ml), Isoniazid (0.03 µg/ml) |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 250 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | Salazinic acid |
| PubChem ID | 5320418 |
| Ethnomedicinal Information | Tuberculosis |
| PubMed ID [Source Literature] | 9795033 |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Aromatic, Tetracyclic, Depside, Aldehyde, Lactone, Phenol |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 388.043 |
| Molecular Formula | C18H12O10
|
| SMILES | O1c2c3c(c(O)c(c2OC(=O)c2c1c(c(O)cc2C)C=O)CO)C(=O)OC3O |
| XLogP | 0.720 |
| PSA | 159.820 |
| H-bond Donor | 4 |
| H-bond Acceptor | 10 |
| No. of Rotatable Bond Count | 2 |
| No. of Rings | 4 |
| No. of N | 0 |
| No. of O | 10 |
| No. of S | 0 |
| Reference(s) | 1) Ingólfsdóttir K, Chung GA, Skúlason VG, Gissurarson SR, Vilhelmsdóttir M.Antimycobacterial activity of lichen metabolites in vitro.Eur J Pharm Sci. 1998 Apr;6(2):141-4
|
| Curator | |
| Compound ID | 2430 |
| Compound Structure |  |
| Plant Source | Potamogeton malaianus Common Name:Curly Pondweed (English) |
| Source Family | Potamogetonaceae |
| Origin | India |
| Plant Part Used | |
| Extract | Dichloromethane |
| Target Bacteria | Mycobacterium tuberculosis H37Ra |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 100 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | Potamogetonyde |
| PubChem ID | 485584 |
| Ethnomedicinal Information | Anti - inflammatory, tuberculosis |
| PubMed ID [Source Literature] | 11277765 |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Alicyclic, Bicyclic, Diterpene, Terpene, Furanoid, Acetyl, Alcohol, Aldehyde |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 358.214 |
| Molecular Formula | C22H30O4
|
| SMILES | O(C[C@]1([C@@H]2[C@]([C@@H](C(=C)CC2)CCc2ccoc2)(CCC1)C=O)C)C(=O)C |
| XLogP | 4.517 |
| PSA | 56.510 |
| H-bond Donor | 0 |
| H-bond Acceptor | 4 |
| No. of Rotatable Bond Count | 7 |
| No. of Rings | 3 |
| No. of N | 0 |
| No. of O | 4 |
| No. of S | 0 |
| Reference(s) | 1) Kittakoop P, Wanasith S, Watts P, Kramyu J, Tanticharoen M, Thebtaranonth Y.Potent antiviral potamogetonyde and potamogetonol, new furanoid labdane diterpenes from Potamogeton malaianus.J Nat Prod. 2001 Mar;64(3):385-8
|
| Curator | |
| Compound ID | 2825 |
| Compound Structure |  |
| Plant Source | Zanthoxylum wutaiense Common Name: |
| Source Family | Rutaceae |
| Origin | China |
| Plant Part Used | Root, wood |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis H37Rv |
| Assay / Test Done | |
| Positive Control Used (conc.) | |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 35 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | 7 - Methoxywutaifuranal |
| PubChem ID | 24970511 |
| Ethnomedicinal Information | Tuberculosis |
| PubMed ID [Source Literature] | 18564877 |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Aromatic, Alkyl, Alkene, Aldehyde, Ether |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 202.063 |
| Molecular Formula | C12H10O3
|
| SMILES | O1c2c(cc(cc2OC)/C=C/C=O)cc1 |
| XLogP | 1.914 |
| PSA | 39.440 |
| H-bond Donor | 0 |
| H-bond Acceptor | 3 |
| No. of Rotatable Bond Count | 3 |
| No. of Rings | 2 |
| No. of N | 0 |
| No. of O | 3 |
| No. of S | 0 |
| Reference(s) | 1) Huang HY, Ishikawa T, Peng CF, Tsai IL, Chen IS.Constituents of the root wood of Zanthoxylum wutaiense with antitubercular activity.J Nat Prod. 2008 Jul;71(7):1146-51
|
| Curator | |
| Compound ID | 2826 |
| Compound Structure |  |
| Plant Source | Zanthoxylum wutaiense Common Name: |
| Source Family | Rutaceae |
| Origin | China |
| Plant Part Used | Root, wood |
| Extract | |
| Target Bacteria | Mycobacterium tuberculosis H37Rv |
| Assay / Test Done | |
| Positive Control Used (conc.) | |
| Inhibition [%] | |
| Activity [MIC] µg/ml | 30 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | |
| Active Compound Identified | Wutaiensal |
| PubChem ID | 25015068 |
| Ethnomedicinal Information | Tuberculosis |
| PubMed ID [Source Literature] | 18564877 |
| Extract Preparation | N/A |
| Chemical Classification [Active Compound] | Aromatic, Phenylpropanoid, Benzofuranoid, Aldehyde, Alcohol |
| Media / Broth Used [Antimicrobial Assay/Test] | N/A |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 262.121 |
| Molecular Formula | C15H18O4 |
| SMILES | O1[C@H](C(O)(C)C)Cc2c1c(OC)cc(c2)/C=C/C=O |
| XLogP | 1.873 |
| PSA | 55.760 |
| H-bond Donor | 1 |
| H-bond Acceptor | 4 |
| No. of Rotatable Bond Count | 4 |
| No. of Rings | 2 |
| No. of N | 0 |
| No. of O | 4 |
| No. of S | 0 |
| Reference(s) | 1) Huang HY, Ishikawa T, Peng CF, Tsai IL, Chen IS.Constituents of the root wood of Zanthoxylum wutaiense with antitubercular activity.J Nat Prod. 2008 Jul;71(7):1146-51
|
| Curator | |
| Compound ID | 3090 |
| Compound Structure |  |
| Plant Source | Prismatomeris fragrans E.T. Geddes Common Name:Khao - San |
| Source Family | Rubiaceae |
| Origin | Northeastern, Eastern and Southeastern parts of Thailand and in the Northwest of Laos |
| Plant Part Used | Root, stem |
| Extract | Hexane, dichloromethane |
| Target Bacteria | Mycobacterium tuberculosis H37Ra |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | Kanamycin Sulphate (2.5 µg/ml), Isoniazid (0.05 µg/ml) |
| Inhibition [%] | NR |
| Activity [MIC] µg/ml | 100 µg/ml |
| Activity (In terms of dilution) | NR |
| Activity (Zone of inhibition in mm) | NR |
| Active Compound Identified | Nordamnacanthal |
| PubChem ID | 160712 |
| Ethnomedicinal Information | Antimalarial, antifungal |
| PubMed ID [Source Literature] | 15885942 |
| Extract Preparation | Air dried roots and stems ground and extracted with solvents hexane and dichloromethane |
| Chemical Classification [Active Compound] | Aromatic, Tricyclic, Quinone, Phenol, Aldehyde |
| Media / Broth Used [Antimicrobial Assay/Test] | NR |
| Cytotoxicity Assay [AID] | Against human epidermoid carcinoma in the mouth (KB), human breast cancer cells (BC), human lung cancer cells (NCI - H187) |
| Molecular Weight | 268.037 |
| Molecular Formula | C15H8O5 |
| SMILES | Oc1c2c(C(=O)c3c(C2=O)cccc3)cc(O)c1C=O |
| XLogP | 2.235 |
| PSA | 91.670 |
| H-bond Donor | 2 |
| H-bond Acceptor | 5 |
| No. of Rotatable Bond Count | 1 |
| No. of Rings | 3 |
| No. of N | 0 |
| No. of O | 5 |
| No. of S | 0 |
| Reference(s) | 1) Kanokmedhakul K, Kanokmedhakul S, Phatchana R.Biological activity of Anthraquinones and Triterpenoids from Prismatomeris fragrans.J Ethnopharmacol. 2005 Sep 14;100(3):284-8
|
| Curator | KeyaMukherjee |
| Compound ID | 3091 |
| Compound Structure |  |
| Plant Source | Prismatomeris fragrans E.T. Geddes Common Name:Khao - San |
| Source Family | Rubiaceae |
| Origin | Northeastern, Eastern and Southeastern parts of Thailand and in the Northwest of Laos |
| Plant Part Used | Root, stem |
| Extract | Hexane, dichloromethane |
| Target Bacteria | Mycobacterium tuberculosis H37Ra |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | Kanamycin Sulphate (2.5 µg/ml), Isoniazid (0.05 µg/ml) |
| Inhibition [%] | NR |
| Activity [MIC] µg/ml | 25 µg/ml |
| Activity (In terms of dilution) | NR |
| Activity (Zone of inhibition in mm) | NR |
| Active Compound Identified | Damnacanthal |
| PubChem ID | 2948 |
| Ethnomedicinal Information | Antimalarial, antifungal |
| PubMed ID [Source Literature] | 15885942 |
| Extract Preparation | Air dried roots and stems ground and extracted with solvents hexane and dichloromethane |
| Chemical Classification [Active Compound] | Aromatic, Tricyclic, Alkaloid, Anthraquinone, Aldehyde |
| Media / Broth Used [Antimicrobial Assay/Test] | NR |
| Cytotoxicity Assay [AID] | Against human epidermoid carcinoma in the mouth (KB), human breast cancer cells (BC), human lung cancer cells (NCI - H187) |
| Molecular Weight | 282.053 |
| Molecular Formula | C16H10O5 |
| SMILES | O(c1c2c(C(=O)c3c(C2=O)cccc3)cc(O)c1C=O)C |
| XLogP | 2.325 |
| PSA | 80.670 |
| H-bond Donor | 1 |
| H-bond Acceptor | 5 |
| No. of Rotatable Bond Count | 2 |
| No. of Rings | 3 |
| No. of N | 0 |
| No. of O | 5 |
| No. of S | 0 |
| Reference(s) | 1) Kanokmedhakul K, Kanokmedhakul S, Phatchana R.Biological activity of Anthraquinones and Triterpenoids from Prismatomeris fragrans.J Ethnopharmacol. 2005 Sep 14;100(3):284-8
|
| Curator | KeyaMukherjee |
| Compound ID | 3367 |
| Compound Structure |  |
| Plant Source | Canella winterana Common Name:NR |
| Source Family | Canellaceae |
| Origin | Guadeloupe |
| Plant Part Used | NR |
| Extract | NR |
| Target Bacteria | Mycobacterium tuberculosis H37Rv |
| Assay / Test Done | NR |
| Positive Control Used (conc.) | NR |
| Inhibition [%] | NR |
| Activity [MIC] µg/ml | Bactec: 100 µg/ml, 7H11 agar: 200 µg/ml |
| Activity (In terms of dilution) | NR |
| Activity (Zone of inhibition in mm) | NR |
| Active Compound Identified | Canellal |
| PubChem ID | 325604 |
| Ethnomedicinal Information | Antimycobacterial |
| PubMed ID [Source Literature] | 9626931 |
| Extract Preparation | The dried powdered material was moistened with 25 % NH4OH, and extracted by chloroform. The organic phase was treated with 2 % HCl, the acid layer was washed with petroleum ether, basified with 25 % NH4OH, and extracted with chloroform. The organic phase was washed with water, and dried over Na2SO4. The organic extracts were evaporated and subjected to chromatography on silica gel |
| Chemical Classification [Active Compound] | Alicyclic, Bicyclic, Terpene, Sesquiterpene, Aldehyde, Alcohol |
| Media / Broth Used [Antimicrobial Assay/Test] | Fresh Loëwenstein - Jensen (LJ) slants, Middlebrook 7H11 agar medium |
| Cytotoxicity Assay [AID] | NR |
| Molecular Weight | 248.141 |
| Molecular Formula | C15H20O3 |
| SMILES | OC1(C2(C(C(=C)C(CC2)C)CC=C1C=O)C)C=O |
| XLogP | 2.567 |
| PSA | 54.370 |
| H-bond Donor | 1 |
| H-bond Acceptor | 3 |
| No. of Rotatable Bond Count | 2 |
| No. of Rings | 2 |
| No. of N | 0 |
| No. of O | 3 |
| No. of S | 0 |
| Reference(s) | 1) Rastogi N, Abaul J, Goh KS, Devallois A, Philogène E, Bourgeois P.Antimycobacterial activity of chemically defined natural substances from the Caribbean flora in Guadeloupe.FEMS Immunol Med Microbiol. 1998 Apr;20(4):267-73
|
| Curator | Wvarsha, rachanake |
| Compound ID | 3368 |
| Compound Structure | |
| Plant Source | Canella winterana Common Name:NR |
| Source Family | Canellaceae |
| Origin | Guadeloupe |
| Plant Part Used | NR |
| Extract | NR |
| Target Bacteria | Mycobacterium avium 733 |
| Assay / Test Done | NR |
| Positive Control Used (conc.) | NR |
| Inhibition [%] | NR |
| Activity [MIC] µg/ml | Bactec: > 100 µg/ml, 7H11 agar: > 200 µg/ml |
| Activity (In terms of dilution) | NR |
| Activity (Zone of inhibition in mm) | NR |
| Active Compound Identified | Canellal |
| PubChem ID | 325604 |
| Ethnomedicinal Information | Antimycobacterial |
| PubMed ID [Source Literature] | 9626931 |
| Extract Preparation | The dried powdered material was moistened with 25 % NH4OH, and extracted by chloroform. The organic phase was treated with 2 % HCl, the acid layer was washed with petroleum ether, basified with 25 % NH4OH, and extracted with chloroform. The organic phase was washed with water, and dried over Na2SO4. The organic extracts were evaporated and subjected to chromatography on silica gel |
| Chemical Classification [Active Compound] | Alicyclic, Bicyclic, Terpene, Sesquiterpene, Aldehyde, Alcohol |
| Media / Broth Used [Antimicrobial Assay/Test] | Fresh Loëwenstein - Jensen (LJ) slants, Middlebrook 7H11 agar medium |
| Cytotoxicity Assay [AID] | NR |
| Molecular Weight | 248.141 |
| Molecular Formula | C15H20O3 |
| SMILES | OC1(C2(C(C(=C)C(CC2)C)CC=C1C=O)C)C=O |
| XLogP | 2.567 |
| PSA | 54.370 |
| H-bond Donor | 1 |
| H-bond Acceptor | 3 |
| No. of Rotatable Bond Count | 2 |
| No. of Rings | 2 |
| No. of N | 0 |
| No. of O | 3 |
| No. of S | 0 |
| Reference(s) | 1) Rastogi N, Abaul J, Goh KS, Devallois A, Philogène E, Bourgeois P.Antimycobacterial activity of chemically defined natural substances from the Caribbean flora in Guadeloupe.FEMS Immunol Med Microbiol. 1998 Apr;20(4):267-73
|
| Curator | Wvarsha, rachanake |
| Compound ID | 3369 |
| Compound Structure | |
| Plant Source | Canella winterana Common Name:NR |
| Source Family | Canellaceae |
| Origin | Guadeloupe |
| Plant Part Used | NR |
| Extract | NR |
| Target Bacteria | Mycobacterium kansasii (Clinical isolate 94 - 069) |
| Assay / Test Done | NR |
| Positive Control Used (conc.) | NR |
| Inhibition [%] | NR |
| Activity [MIC] µg/ml | Bactec: 100 µg/ml, 7H11 agar: 200 µg/ml |
| Activity (In terms of dilution) | NR |
| Activity (Zone of inhibition in mm) | NR |
| Active Compound Identified | Canellal |
| PubChem ID | 325604 |
| Ethnomedicinal Information | Antimycobacterial |
| PubMed ID [Source Literature] | 9626931 |
| Extract Preparation | The dried powdered material was moistened with 25 % NH4OH, and extracted by chloroform. The organic phase was treated with 2 % HCl, the acid layer was washed with petroleum ether, basified with 25 % NH4OH, and extracted with chloroform. The organic phase was washed with water, and dried over Na2SO4. The organic extracts were evaporated and subjected to chromatography on silica gel |
| Chemical Classification [Active Compound] | Alicyclic, Bicyclic, Terpene, Sesquiterpene, Aldehyde, Alcohol |
| Media / Broth Used [Antimicrobial Assay/Test] | Fresh Loëwenstein - Jensen (LJ) slants, Middlebrook 7H11 agar medium |
| Cytotoxicity Assay [AID] | NR |
| Molecular Weight | 248.141 |
| Molecular Formula | C15H20O3 |
| SMILES | OC1(C2(C(C(=C)C(CC2)C)CC=C1C=O)C)C=O |
| XLogP | 2.567 |
| PSA | 54.370 |
| H-bond Donor | 1 |
| H-bond Acceptor | 3 |
| No. of Rotatable Bond Count | 2 |
| No. of Rings | 2 |
| No. of N | 0 |
| No. of O | 3 |
| No. of S | 0 |
| Reference(s) | 1) Rastogi N, Abaul J, Goh KS, Devallois A, Philogène E, Bourgeois P.Antimycobacterial activity of chemically defined natural substances from the Caribbean flora in Guadeloupe.FEMS Immunol Med Microbiol. 1998 Apr;20(4):267-73
|
| Curator | Wvarsha, rachanake |
| Compound ID | 3671 |
| Compound Structure |  |
| Plant Source | Micromelum hirsutum Common Name: |
| Source Family | Rutaceae |
| Origin | |
| Plant Part Used | Stem bark |
| Extract | Dichloromethane |
| Target Bacteria | Mycobacterium tuberculosis H37Rv |
| Assay / Test Done | Fluorometric Alamar Blue Microassay (FMABA) |
| Positive Control Used (conc.) | Rifampin (0.040 ± 0.017 µg/ml) |
| Inhibition [%] | > 90 % |
| Activity [MIC] µg/ml | 31.5 ± 0.2 µg/ml |
| Activity (In terms of dilution) | NR |
| Activity (Zone of inhibition in mm) | NR |
| Active Compound Identified | Micromeline |
| PubChem ID | 5278450 |
| Ethnomedicinal Information | |
| PubMed ID [Source Literature] | 15770548 |
| Extract Preparation | The dried, milled stem bark of Micromelum hirsutum was extracted with CH2Cl2 to yield 45.5 g extract, of which 32.1 g were chromatographed by vacuum liquid chromatography over a silica gel column |
| Chemical Classification [Active Compound] | Aromatic, Tricyclic, Alkaloid, Carbazole, Prenylated, Aldehyde, Phenol |
| Media / Broth Used [Antimicrobial Assay/Test] | |
| Cytotoxicity Assay [AID] | Against Vero cells (ATCCCCL-
81) in the CellTiter 96 aqueous nonradioactive cell
proliferation assay |
| Molecular Weight | 279.126 |
| Molecular Formula | C18H17NO2 |
| SMILES | Oc1c(c2c3c([nH]c2cc1)ccc(c3)C=O)CC=C(C)C |
| XLogP | 3.814 |
| PSA | 53.090 |
| H-bond Donor | 2 |
| H-bond Acceptor | 3 |
| No. of Rotatable Bond Count | 3 |
| No. of Rings | 3 |
| No. of N | 1 |
| No. of O | 2 |
| No. of S | 0 |
| Reference(s) | 1) Ma C, Case RJ, Wang Y, Zhang HJ, Tan GT, Van Hung N, Cuong NM, Franzblau SG, Soejarto DD, Fong HH, Pauli GF.Anti-tuberculosis constituents from the stem bark of Micromelum hirsutum.Planta Med. 2005 Mar;71(3):261-7
|
| Curator | Vikramjitmandal |
| Compound ID | 3672 |
| Compound Structure |  |
| Plant Source | Micromelum hirsutum Common Name: |
| Source Family | Rutaceae |
| Origin | |
| Plant Part Used | Stem bark |
| Extract | Dichloromethane |
| Target Bacteria | Mycobacterium tuberculosis H37Rv |
| Assay / Test Done | Fluorometric Alamar Blue Microassay (FMABA) |
| Positive Control Used (conc.) | Rifampin (0.040 ± 0.017 µg/ml) |
| Inhibition [%] | > 90 % |
| Activity [MIC] µg/ml | 14.3 ± 0.9 µg/ml |
| Activity (In terms of dilution) | NR |
| Activity (Zone of inhibition in mm) | NR |
| Active Compound Identified | Lansine |
| PubChem ID | 5317755 |
| Ethnomedicinal Information | |
| PubMed ID [Source Literature] | 15770548 |
| Extract Preparation | The dried, milled stem bark of Micromelum hirsutum was extracted with CH2Cl2 to yield 45.5 g extract, of which 32.1 g were chromatographed by vacuum liquid chromatography over a silica gel column |
| Chemical Classification [Active Compound] | Aromatic, Tricyclic, Alkaloid, Carbazole, Aldehyde, Ether |
| Media / Broth Used [Antimicrobial Assay/Test] | |
| Cytotoxicity Assay [AID] | Against Vero cells (ATCCCCL-
81) in the CellTiter 96 aqueous nonradioactive cell
proliferation assay |
| Molecular Weight | 255.090 |
| Molecular Formula | C15H13NO3 |
| SMILES | O(c1cc2[nH]c3c(c2cc1C=O)ccc(OC)c3)C |
| XLogP | 2.419 |
| PSA | 51.320 |
| H-bond Donor | 1 |
| H-bond Acceptor | 4 |
| No. of Rotatable Bond Count | 3 |
| No. of Rings | 3 |
| No. of N | 1 |
| No. of O | 3 |
| No. of S | 0 |
| Reference(s) | 1) Ma C, Case RJ, Wang Y, Zhang HJ, Tan GT, Van Hung N, Cuong NM, Franzblau SG, Soejarto DD, Fong HH, Pauli GF.Anti-tuberculosis constituents from the stem bark of Micromelum hirsutum.Planta Med. 2005 Mar;71(3):261-7
|
| Curator | Vikramjitmandal |
| Compound ID | 3676 |
| Compound Structure |  |
| Plant Source | Micromelum hirsutum Common Name: |
| Source Family | Rutaceae |
| Origin | |
| Plant Part Used | Stem bark |
| Extract | Dichloromethane |
| Target Bacteria | Mycobacterium tuberculosis H37Rv |
| Assay / Test Done | Fluorometric Alamar Blue Microassay (FMABA) |
| Positive Control Used (conc.) | Rifampin (0.040 ± 0.017 µg/ml) |
| Inhibition [%] | > 90 % |
| Activity [MIC] µg/ml | 15.6 ± 0.2 µg/ml |
| Activity (In terms of dilution) | NR |
| Activity (Zone of inhibition in mm) | NR |
| Active Compound Identified | 3 - Formyl - 6 - Methoxycarbazole |
| PubChem ID | 5278452 |
| Ethnomedicinal Information | |
| PubMed ID [Source Literature] | 15770548 |
| Extract Preparation | The dried, milled stem bark of Micromelum hirsutum was extracted with CH2Cl2 to yield 45.5 g extract, of which 32.1 g were chromatographed by vacuum liquid chromatography over a silica gel column |
| Chemical Classification [Active Compound] | Aromatic, Tricyclic, Carbazole, Alkaloid, Aldehyde, Ether |
| Media / Broth Used [Antimicrobial Assay/Test] | |
| Cytotoxicity Assay [AID] | Against Vero cells (ATCCCCL-
81) in the CellTiter 96 aqueous nonradioactive cell
proliferation assay |
| Molecular Weight | 225.079 |
| Molecular Formula | C14H11NO2 |
| SMILES | O(c1cc2c3c([nH]c2cc1)ccc(c3)C=O)C |
| XLogP | 2.863 |
| PSA | 42.090 |
| H-bond Donor | 1 |
| H-bond Acceptor | 3 |
| No. of Rotatable Bond Count | 2 |
| No. of Rings | 3 |
| No. of N | 1 |
| No. of O | 2 |
| No. of S | 0 |
| Reference(s) | 1) Ma C, Case RJ, Wang Y, Zhang HJ, Tan GT, Van Hung N, Cuong NM, Franzblau SG, Soejarto DD, Fong HH, Pauli GF.Anti-tuberculosis constituents from the stem bark of Micromelum hirsutum.Planta Med. 2005 Mar;71(3):261-7
|
| Curator | Vikramjitmandal |
| Compound ID | 3745 |
| Compound Structure |  |
| Plant Source | Ziziphus cambodiana Pierre Common Name:NR |
| Source Family | Rhamnaceae |
| Origin | Northeast of Thailand |
| Plant Part Used | Root bark |
| Extract | NR |
| Target Bacteria | Mycobacterium tuberculosis H37Ra |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | Rifampin (0.004 µg/ml), Isoniazid (0.06 µg/ml), Kanamycin sulphate (2.5 µg/ml) |
| Inhibition [%] | >= 90 % |
| Activity [MIC] µg/ml | 25 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | NR |
| Active Compound Identified | Betulinaldehyde |
| PubChem ID | 317607 |
| Ethnomedicinal Information | Malaria, tuberculosis |
| PubMed ID [Source Literature] | 16595959 |
| Extract Preparation | Pulverized, dry root bark (4.85 kg) of Ziziphus cambodiana was defatted with hexane and then extracted successively with ethyl acetate (EtOAc) and Methanol (MeOH) at 50°C for 50 h, and the solvents were evaporated to yield EtOAc (60.4 g) and MeOH (629.3 g) extracts, respectively |
| Chemical Classification [Active Compound] | Alicyclic, Pentacyclic, Terpene, Triterpene, Aldehyde, Alcohol |
| Media / Broth Used [Antimicrobial Assay/Test] | |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 440.365 |
| Molecular Formula | C30H48O2 |
| SMILES | OC1C(C2C(C3C(C4(C(C5C(CC4)(CCC5C(=C)C)C=O)CC3)C)(CC2)C)(CC1)C)(C)C |
| XLogP | 9.821 |
| PSA | 37.300 |
| H-bond Donor | 1 |
| H-bond Acceptor | 2 |
| No. of Rotatable Bond Count | 2 |
| No. of Rings | 5 |
| No. of N | 0 |
| No. of O | 2 |
| No. of S | 0 |
| Reference(s) | 1) Suksamrarn S, Panseeta P, Kunchanawatta S, Distaporn T, Ruktasing S, Suksamrarn A.Ceanothane- and lupane-type triterpenes with antiplasmodial and antimycobacterial activities from Ziziphus cambodiana.Chem Pharm Bull (Tokyo). 2006 Apr;54(4):535-7
|
| Curator | Vikramjitmandal, rachanake |
| Compound ID | 3749 |
| Compound Structure |  |
| Plant Source | Ziziphus cambodiana Pierre Common Name:NR |
| Source Family | Rhamnaceae |
| Origin | Northeast of Thailand |
| Plant Part Used | Root bark |
| Extract | NR |
| Target Bacteria | Mycobacterium tuberculosis H37Ra |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | Rifampin (0.004 µg/ml), Isoniazid (0.06 µg/ml), Kanamycin sulphate (2.5 µg/ml) |
| Inhibition [%] | >= 90 % |
| Activity [MIC] µg/ml | 50 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | NR |
| Active Compound Identified | Zizyberanalic acid |
| PubChem ID | 15958447 |
| Ethnomedicinal Information | Malaria, tuberculosis |
| PubMed ID [Source Literature] | 16595959 |
| Extract Preparation | Pulverized, dry root bark (4.85 kg) of Ziziphus cambodiana was defatted with hexane and then extracted successively with ethyl acetate (EtOAc) and Methanol (MeOH) at 50°C for 50 h, and the solvents were evaporated to yield EtOAc (60.4 g) and MeOH (629.3 g) extracts, respectively |
| Chemical Classification [Active Compound] | Alicyclic, Pentacyclic, Terpene, Triterpene, Alcohol, Aldehyde, Acid |
| Media / Broth Used [Antimicrobial Assay/Test] | |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 470.340 |
| Molecular Formula | C30H46O4 |
| SMILES | O[C@H]1C([C@H]2[C@@](C3[C@]([C@]4(C(C5[C@@](CC4)(CC[C@H]5C(=C)C)C(=O)O)CC3)C)(CC2)C)([C@@H]1C=O)C)(C)C |
| XLogP | 8.733 |
| PSA | 74.600 |
| H-bond Donor | 2 |
| H-bond Acceptor | 4 |
| No. of Rotatable Bond Count | 3 |
| No. of Rings | 5 |
| No. of N | 0 |
| No. of O | 4 |
| No. of S | 0 |
| Reference(s) | 1) Suksamrarn S, Panseeta P, Kunchanawatta S, Distaporn T, Ruktasing S, Suksamrarn A.Ceanothane- and lupane-type triterpenes with antiplasmodial and antimycobacterial activities from Ziziphus cambodiana.Chem Pharm Bull (Tokyo). 2006 Apr;54(4):535-7
|
| Curator | Vikramjitmandal, rachanake |
| Compound ID | 3750 |
| Compound Structure | |
| Plant Source | Ziziphus cambodiana Pierre Common Name:NR |
| Source Family | Rhamnaceae |
| Origin | Northeast of Thailand |
| Plant Part Used | Root bark |
| Extract | NR |
| Target Bacteria | Mycobacterium tuberculosis H37Ra |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | Rifampin (0.004 µg/ml), Isoniazid (0.06 µg/ml), Kanamycin sulphate (2.5 µg/ml) |
| Inhibition [%] | >= 90 % |
| Activity [MIC] µg/ml | 100 µg/ml |
| Activity (In terms of dilution) | |
| Activity (Zone of inhibition in mm) | NR |
| Active Compound Identified | Zizyberenalic acid |
| PubChem ID | 15958447 |
| Ethnomedicinal Information | Malaria, tuberculosis |
| PubMed ID [Source Literature] | 16595959 |
| Extract Preparation | Pulverized, dry root bark (4.85 kg) of Ziziphus cambodiana was defatted with hexane and then extracted successively with ethyl acetate (EtOAc) and Methanol (MeOH) at 50°C for 50 h, and the solvents were evaporated to yield EtOAc (60.4 g) and MeOH (629.3 g) extracts, respectively |
| Chemical Classification [Active Compound] | Alicyclic, Pentacyclic, Terpene, Triterpene, Alcohol, Aldehyde, Acid |
| Media / Broth Used [Antimicrobial Assay/Test] | |
| Cytotoxicity Assay [AID] | N/A |
| Molecular Weight | 470.340 |
| Molecular Formula | C30H46O4 |
| SMILES | O[C@H]1C([C@H]2[C@@](C3[C@]([C@]4(C(C5[C@@](CC4)(CC[C@H]5C(=C)C)C(=O)O)CC3)C)(CC2)C)([C@@H]1C=O)C)(C)C |
| XLogP | 8.733 |
| PSA | 74.600 |
| H-bond Donor | 2 |
| H-bond Acceptor | 4 |
| No. of Rotatable Bond Count | 3 |
| No. of Rings | 5 |
| No. of N | 0 |
| No. of O | 4 |
| No. of S | 0 |
| Reference(s) | 1) Suksamrarn S, Panseeta P, Kunchanawatta S, Distaporn T, Ruktasing S, Suksamrarn A.Ceanothane- and lupane-type triterpenes with antiplasmodial and antimycobacterial activities from Ziziphus cambodiana.Chem Pharm Bull (Tokyo). 2006 Apr;54(4):535-7
|
| Curator | Vikramjitmandal, rachanake |
| Compound ID | 3755 |
| Compound Structure |  |
| Plant Source | Calliandra californica Benth. Common Name:NR |
| Source Family | Fabaceae |
| Origin | NR |
| Plant Part Used | Root |
| Extract | Ethyl acetate |
| Target Bacteria | Mycobacterium tuberculosis H37Rv (CIBIN / UMF15 : 099) |
| Assay / Test Done | Microplate Alamar Blue Assay (MABA) |
| Positive Control Used (conc.) | NR |
| Inhibition [%] | NR |
| Activity [MIC] µg/ml | 12.5 µg/ml |
| Activity (In terms of dilution) | NR |
| Activity (Zone of inhibition in mm) | NR |
| Active Compound Identified | Escobarine A |
| PubChem ID | 11983334 |
| Ethnomedicinal Information | NR |
| PubMed ID [Source Literature] | 16755469 |
| Extract Preparation | NR |
| Chemical Classification [Active Compound] | Alicyclic, Tricyclic, Terpene, Diterpene, Epoxy, Aldehyde, Phenol |
| Media / Broth Used [Antimicrobial Assay/Test] | NR |
| Cytotoxicity Assay [AID] | Against 5 human tumor cell lines |
| Molecular Weight | 330.183 |
| Molecular Formula | C20H26O4 |
| SMILES | O1[C@@]2([C@H]3[C@@H]([C@@]4([C@H](C(CCC4)(C)C)C[C@@H]3O)C)CC(=O)[C@]12C#C)C=O |
| XLogP | 3.288 |
| PSA | 66.900 |
| H-bond Donor | 2 |
| H-bond Acceptor | 4 |
| No. of Rotatable Bond Count | 1 |
| No. of Rings | 4 |
| No. of N | 0 |
| No. of O | 4 |
| No. of S | 0 |
| Reference(s) | 1) Encarnación-Dimayuga R, Agúndez-Espinoza J, García A, Delgado G, Molina-Salinas GM, Said-Fernández S.Two new cassane-type diterpenes from Calliandra californica with antituberculosis and cytotoxic activities.Planta Med. 2006 Jun;72(8):757-61. Epub 2006 Jun 1
|
| Curator | Reshmi, vikramjitmandal |
| Compound ID | 3843 |
| Compound Structure |  |
| Plant Source | Apple, Tea, Cinnamon, Cassia and other plants (not reported specifically) Common Name:NR |
| Source Family | NR |
| Origin | NR |
| Plant Part Used | NR |
| Extract | NR |
| Target Bacteria | Mycobacterium avium subsp. paratuberculosis (bovine isolate [NCTC 8578]) |
| Assay / Test Done | Macro - broth susceptibility testing using Bactec 460 system |
| Positive Control Used (conc.) | Rifampin (< 0.6 µg/ml) |
| Inhibition [%] | NR |
| Activity [MIC] µg/ml | 74 µg/ml |
| Activity (In terms of dilution) | NR |
| Activity (Zone of inhibition in mm) | NR |
| Active Compound Identified | 2, 5 - Dihydroxybenzaldehyde |
| PubChem ID | 70949 |
| Ethnomedicinal Information | NR |
| PubMed ID [Source Literature] | 18676709 |
| Extract Preparation | NR |
| Chemical Classification [Active Compound] | Aromatic, Aldehyde, Phenol |
| Media / Broth Used [Antimicrobial Assay/Test] | Middlebrook 7H9 broth |
| Cytotoxicity Assay [AID] | NR |
| Molecular Weight | 138.032 |
| Molecular Formula | C7H6O3 |
| SMILES | Oc1c(cc(O)cc1)C=O |
| XLogP | 0.950 |
| PSA | 57.530 |
| H-bond Donor | 2 |
| H-bond Acceptor | 3 |
| No. of Rotatable Bond Count | 1 |
| No. of Rings | 1 |
| No. of N | 0 |
| No. of O | 3 |
| No. of S | 0 |
| Reference(s) | 1) Wong SY, Grant IR, Friedman M, Elliott CT, Situ C.Antibacterial activities of naturally occurring compounds against Mycobacterium avium subsp. paratuberculosis.Appl Environ Microbiol. 2008 Oct;74(19):5986-90. Epub 2008 Aug 1
|
| Curator | KeyaMukherjee, Farzana Shamsudeen |
| Compound ID | 3844 |
| Compound Structure | |
| Plant Source | Apple, Tea, Cinnamon, Cassia and other plants (not reported specifically) Common Name:NR |
| Source Family | NR |
| Origin | NR |
| Plant Part Used | NR |
| Extract | NR |
| Target Bacteria | Mycobacterium avium subsp. paratuberculosis (human isolate [ATCC 43015]) |
| Assay / Test Done | Macro - broth susceptibility testing using Bactec 460 system |
| Positive Control Used (conc.) | Rifampin (< 0.6 µg/ml) |
| Inhibition [%] | NR |
| Activity [MIC] µg/ml | 74 µg/ml |
| Activity (In terms of dilution) | NR |
| Activity (Zone of inhibition in mm) | NR |
| Active Compound Identified | 2, 5 - Dihydroxybenzaldehyde |
| PubChem ID | 70949 |
| Ethnomedicinal Information | NR |
| PubMed ID [Source Literature] | 18676709 |
| Extract Preparation | NR |
| Chemical Classification [Active Compound] | Aromatic, Aldehyde, Phenol |
| Media / Broth Used [Antimicrobial Assay/Test] | Middlebrook 7H9 broth |
| Cytotoxicity Assay [AID] | NR |
| Molecular Weight | 138.032 |
| Molecular Formula | C7H6O3 |
| SMILES | Oc1c(cc(O)cc1)C=O |
| XLogP | 0.950 |
| PSA | 57.530 |
| H-bond Donor | 2 |
| H-bond Acceptor | 3 |
| No. of Rotatable Bond Count | 1 |
| No. of Rings | 1 |
| No. of N | 0 |
| No. of O | 3 |
| No. of S | 0 |
| Reference(s) | 1) Wong SY, Grant IR, Friedman M, Elliott CT, Situ C.Antibacterial activities of naturally occurring compounds against Mycobacterium avium subsp. paratuberculosis.Appl Environ Microbiol. 2008 Oct;74(19):5986-90. Epub 2008 Aug 1
|
| Curator | KeyaMukherjee, Farzana Shamsudeen |
| Compound ID | 3845 |
| Compound Structure | |
| Plant Source | Apple, Tea, Cinnamon, Cassia and other plants (not reported specifically) Common Name:NR |
| Source Family | NR |
| Origin | NR |
| Plant Part Used | NR |
| Extract | NR |
| Target Bacteria | Mycobacterium avium subsp. paratuberculosis (raw - milk isolate [806R]) |
| Assay / Test Done | Macro - broth susceptibility testing using Bactec 460 system |
| Positive Control Used (conc.) | Rifampin (< 0.6 µg/ml) |
| Inhibition [%] | NR |
| Activity [MIC] µg/ml | 74 µg/ml |
| Activity (In terms of dilution) | NR |
| Activity (Zone of inhibition in mm) | NR |
| Active Compound Identified | 2, 5 - Dihydroxybenzaldehyde |
| PubChem ID | 70949 |
| Ethnomedicinal Information | NR |
| PubMed ID [Source Literature] | 18676709 |
| Extract Preparation | NR |
| Chemical Classification [Active Compound] | Aromatic, Aldehyde, Phenol |
| Media / Broth Used [Antimicrobial Assay/Test] | Middlebrook 7H9 broth |
| Cytotoxicity Assay [AID] | NR |
| Molecular Weight | 138.032 |
| Molecular Formula | C7H6O3 |
| SMILES | Oc1c(cc(O)cc1)C=O |
| XLogP | 0.950 |
| PSA | 57.530 |
| H-bond Donor | 2 |
| H-bond Acceptor | 3 |
| No. of Rotatable Bond Count | 1 |
| No. of Rings | 1 |
| No. of N | 0 |
| No. of O | 3 |
| No. of S | 0 |
| Reference(s) | 1) Wong SY, Grant IR, Friedman M, Elliott CT, Situ C.Antibacterial activities of naturally occurring compounds against Mycobacterium avium subsp. paratuberculosis.Appl Environ Microbiol. 2008 Oct;74(19):5986-90. Epub 2008 Aug 1
|
| Curator | KeyaMukherjee, Farzana Shamsudeen |
| Compound ID | 3846 |
| Compound Structure |  |
| Plant Source | Apple, Tea, Cinnamon, Cassia and other plants (not reported specifically) Common Name:NR |
| Source Family | NR |
| Origin | NR |
| Plant Part Used | NR |
| Extract | NR |
| Target Bacteria | Mycobacterium avium subsp. paratuberculosis (bovine isolate [NCTC 8578]) |
| Assay / Test Done | Macro - broth susceptibility testing using Bactec 460 system |
| Positive Control Used (conc.) | Rifampin (< 0.6 µg/ml) |
| Inhibition [%] | NR |
| Activity [MIC] µg/ml | 90.4 µg/ml |
| Activity (In terms of dilution) | NR |
| Activity (Zone of inhibition in mm) | NR |
| Active Compound Identified | 2 - Hydroxy - 5 - Methoxybenzaldehyde |
| PubChem ID | 95695 |
| Ethnomedicinal Information | NR |
| PubMed ID [Source Literature] | 18676709 |
| Extract Preparation | NR |
| Chemical Classification [Active Compound] | Aromatic, Aldehyde, Ether, Phenol |
| Media / Broth Used [Antimicrobial Assay/Test] | Middlebrook 7H9 broth |
| Cytotoxicity Assay [AID] | NR |
| Molecular Weight | 152.047 |
| Molecular Formula | C8H8O3 |
| SMILES | O(c1cc(c(O)cc1)C=O)C |
| XLogP | 1.469 |
| PSA | 46.530 |
| H-bond Donor | 1 |
| H-bond Acceptor | 3 |
| No. of Rotatable Bond Count | 2 |
| No. of Rings | 1 |
| No. of N | 0 |
| No. of O | 3 |
| No. of S | 0 |
| Reference(s) | 1) Wong SY, Grant IR, Friedman M, Elliott CT, Situ C.Antibacterial activities of naturally occurring compounds against Mycobacterium avium subsp. paratuberculosis.Appl Environ Microbiol. 2008 Oct;74(19):5986-90. Epub 2008 Aug 1
|
| Curator | KeyaMukherjee, Farzana Shamsudeen |
| Compound ID | 3847 |
| Compound Structure | |
| Plant Source | Apple, Tea, Cinnamon, Cassia and other plants (not reported specifically) Common Name:NR |
| Source Family | NR |
| Origin | NR |
| Plant Part Used | NR |
| Extract | NR |
| Target Bacteria | Mycobacterium avium subsp. paratuberculosis (human isolate [ATCC 43015]) |
| Assay / Test Done | Macro - broth susceptibility testing using Bactec 460 system |
| Positive Control Used (conc.) | Rifampin (< 0.6 µg/ml) |
| Inhibition [%] | NR |
| Activity [MIC] µg/ml | 90.4 µg/ml |
| Activity (In terms of dilution) | NR |
| Activity (Zone of inhibition in mm) | NR |
| Active Compound Identified | 2 - Hydroxy - 5 - Methoxybenzaldehyde |
| PubChem ID | 95695 |
| Ethnomedicinal Information | NR |
| PubMed ID [Source Literature] | 18676709 |
| Extract Preparation | NR |
| Chemical Classification [Active Compound] | Aromatic, Aldehyde, Ether, Phenol |
| Media / Broth Used [Antimicrobial Assay/Test] | Middlebrook 7H9 broth |
| Cytotoxicity Assay [AID] | NR |
| Molecular Weight | 152.047 |
| Molecular Formula | C8H8O3 |
| SMILES | O(c1cc(c(O)cc1)C=O)C |
| XLogP | 1.469 |
| PSA | 46.530 |
| H-bond Donor | 1 |
| H-bond Acceptor | 3 |
| No. of Rotatable Bond Count | 2 |
| No. of Rings | 1 |
| No. of N | 0 |
| No. of O | 3 |
| No. of S | 0 |
| Reference(s) | 1) Wong SY, Grant IR, Friedman M, Elliott CT, Situ C.Antibacterial activities of naturally occurring compounds against Mycobacterium avium subsp. paratuberculosis.Appl Environ Microbiol. 2008 Oct;74(19):5986-90. Epub 2008 Aug 1
|
| Curator | KeyaMukherjee, Farzana Shamsudeen |
