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                  Page - 1 of 1                  Record - 1 of 17   [TOP]
Compound ID1686
Compound Structure
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Plant SourceEuclea natalensis A. DC.     Common Name:Natal Guarri, Natal Ebony, Large Leaved Guarri
Source FamilyEbenaceae
OriginAfrica
Plant Part UsedRoot
ExtractAcetone
Target BacteriaMycobacterium smegmatis
Assay / Test DoneModified two - fold serial dilution assay
Positive Control Used (conc.)Isoniazid (2.93 µg/ml)
Inhibition [%]
Activity [MIC] µg/ml1.57 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified7 - Methyljuglone
PubChem ID   26905
Ethnomedicinal InformationRespiratory chest problems, coughs, tuberculosis
PubMed ID [Source Literature]18591787
Extract PreparationPowdered plant material was combined in a 1 : 10 ratio with solvent and shaken vigorously for 30 min using a mechanical shaker before being filtered through Whatman No. 1 filter paper. The solvent was removed in a stream of air and the residues redissolved in DMSO to a concentration of 200 mg/ml
Chemical Classification [Active Compound]Aromatic, Bicyclic, Napthalene, Quinone, Phenol
Media / Broth Used [Antimicrobial Assay/Test]Middlebrook 7H9 broth supplemented with 10 % OADC medium
Cytotoxicity Assay [AID]N/A
Molecular Weight188.047
Molecular FormulaC11H8O3
SMILESOc1c2c(cc(c1)C)C(=O)C=CC2=O
XLogP0.898
PSA54.370
H-bond Donor1
H-bond Acceptor3
No. of Rotatable Bond Count0
No. of Rings2
No. of N0
No. of O3
No. of S0
Reference(s)1) McGaw LJ, Lall N, Hlokwe TM, Michel AL, Meyer JJ, Eloff JN.Purified compounds and extracts from Euclea species with antimycobacterial activity against Mycobacterium bovis and fast-growing mycobacteria.Biol Pharm Bull. 2008 Jul;31(7):1429-33

Curator

                  Record - 2 of 17   [TOP]
Compound ID1690
Compound Structure
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Plant SourceEuclea natalensis A. DC.     Common Name:Natal Guarri, Natal Ebony, Large Leaved Guarri
Source FamilyEbenaceae
OriginAfrica
Plant Part UsedRoot
ExtractAcetone
Target BacteriaMycobacterium fortuitum
Assay / Test DoneModified two - fold serial dilution assay
Positive Control Used (conc.)Isoniazid (1.95 µg/ml)
Inhibition [%]
Activity [MIC] µg/ml22.14 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified7 - Methyljuglone
PubChem ID   26905
Ethnomedicinal InformationRespiratory chest problems, coughs, tuberculosis
PubMed ID [Source Literature]18591787
Extract PreparationPowdered plant material was combined in a 1 : 10 ratio with solvent and shaken vigorously for 30 min using a mechanical shaker before being filtered through Whatman No. 1 filter paper. The solvent was removed in a stream of air and the residues redissolved in DMSO to a concentration of 200 mg/ml
Chemical Classification [Active Compound]Aromatic, Bicyclic, Napthalene, Quinone, Phenol
Media / Broth Used [Antimicrobial Assay/Test]Middlebrook 7H9 broth supplemented with 10 % OADC medium
Cytotoxicity Assay [AID]N/A
Molecular Weight188.047
Molecular FormulaC11H8O3
SMILESOc1c2c(cc(c1)C)C(=O)C=CC2=O
XLogP0.898
PSA54.370
H-bond Donor1
H-bond Acceptor3
No. of Rotatable Bond Count0
No. of Rings2
No. of N0
No. of O3
No. of S0
Reference(s)1) McGaw LJ, Lall N, Hlokwe TM, Michel AL, Meyer JJ, Eloff JN.Purified compounds and extracts from Euclea species with antimycobacterial activity against Mycobacterium bovis and fast-growing mycobacteria.Biol Pharm Bull. 2008 Jul;31(7):1429-33

Curator

                  Record - 3 of 17   [TOP]
Compound ID1694
Compound Structure
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Plant SourceEuclea natalensis A. DC.     Common Name:Natal Guarri, Natal Ebony, Large Leaved Guarri
Source FamilyEbenaceae
OriginAfrica
Plant Part UsedRoot
ExtractAcetone
Target BacteriaMycobacterium bovis (BCG - Bacillus Calmette Guerin)
Assay / Test DoneModified two - fold serial dilution assay
Positive Control Used (conc.)Isoniazid (3.26 µg/ml)
Inhibition [%]
Activity [MIC] µg/ml11.78 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified7 - Methyljuglone
PubChem ID   26905
Ethnomedicinal InformationRespiratory chest problems, coughs, tuberculosis
PubMed ID [Source Literature]18591787
Extract PreparationPowdered plant material was combined in a 1 : 10 ratio with solvent and shaken vigorously for 30 min using a mechanical shaker before being filtered through Whatman No. 1 filter paper. The solvent was removed in a stream of air and the residues redissolved in DMSO to a concentration of 200 mg/ml
Chemical Classification [Active Compound]Aromatic, Bicyclic, Napthalene, Quinone, Phenol
Media / Broth Used [Antimicrobial Assay/Test]Middlebrook 7H9 broth supplemented with 10 % OADC medium
Cytotoxicity Assay [AID]N/A
Molecular Weight188.047
Molecular FormulaC11H8O3
SMILESOc1c2c(cc(c1)C)C(=O)C=CC2=O
XLogP0.898
PSA54.370
H-bond Donor1
H-bond Acceptor3
No. of Rotatable Bond Count0
No. of Rings2
No. of N0
No. of O3
No. of S0
Reference(s)1) McGaw LJ, Lall N, Hlokwe TM, Michel AL, Meyer JJ, Eloff JN.Purified compounds and extracts from Euclea species with antimycobacterial activity against Mycobacterium bovis and fast-growing mycobacteria.Biol Pharm Bull. 2008 Jul;31(7):1429-33

Curator

                  Record - 4 of 17   [TOP]
Compound ID1698
Compound Structure
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Plant SourceEuclea natalensis A. DC.     Common Name:Natal Guarri, Natal Ebony, Large Leaved Guarri
Source FamilyEbenaceae
OriginAfrica
Plant Part UsedRoot
ExtractAcetone
Target BacteriaMycobacterium bovis ATCC
Assay / Test DoneModified two - fold serial dilution assay
Positive Control Used (conc.)Isoniazid (1.49 µg/ml)
Inhibition [%]
Activity [MIC] µg/ml1.55 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified7 - Methyljuglone
PubChem ID   26905
Ethnomedicinal InformationRespiratory chest problems, coughs, tuberculosis
PubMed ID [Source Literature]18591787
Extract PreparationPowdered plant material was combined in a 1 : 10 ratio with solvent and shaken vigorously for 30 min using a mechanical shaker before being filtered through Whatman No. 1 filter paper. The solvent was removed in a stream of air and the residues redissolved in DMSO to a concentration of 200 mg/ml
Chemical Classification [Active Compound]Aromatic, Bicyclic, Napthalene, Quinone, Phenol
Media / Broth Used [Antimicrobial Assay/Test]Middlebrook 7H9 broth supplemented with 10 % OADC medium
Cytotoxicity Assay [AID]N/A
Molecular Weight188.047
Molecular FormulaC11H8O3
SMILESOc1c2c(cc(c1)C)C(=O)C=CC2=O
XLogP0.898
PSA54.370
H-bond Donor1
H-bond Acceptor3
No. of Rotatable Bond Count0
No. of Rings2
No. of N0
No. of O3
No. of S0
Reference(s)1) McGaw LJ, Lall N, Hlokwe TM, Michel AL, Meyer JJ, Eloff JN.Purified compounds and extracts from Euclea species with antimycobacterial activity against Mycobacterium bovis and fast-growing mycobacteria.Biol Pharm Bull. 2008 Jul;31(7):1429-33

Curator

                  Record - 5 of 17   [TOP]
Compound ID1702
Compound Structure
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Plant SourceEuclea natalensis A. DC.     Common Name:Natal Guarri, Natal Ebony, Large Leaved Guarri
Source FamilyEbenaceae
OriginAfrica
Plant Part UsedRoot
ExtractAcetone
Target BacteriaMycobacterium tuberculosis
Assay / Test DoneModified two - fold serial dilution assay
Positive Control Used (conc.)Isoniazid (0.062 µg/ml)
Inhibition [%]
Activity [MIC] µg/ml0.5 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified7 - Methyljuglone
PubChem ID   26905
Ethnomedicinal InformationRespiratory chest problems, coughs, tuberculosis
PubMed ID [Source Literature]18591787
Extract PreparationPowdered plant material was combined in a 1 : 10 ratio with solvent and shaken vigorously for 30 min using a mechanical shaker before being filtered through Whatman No. 1 filter paper. The solvent was removed in a stream of air and the residues redissolved in DMSO to a concentration of 200 mg/ml
Chemical Classification [Active Compound]Aromatic, Bicyclic, Napthalene, Quinone, Phenol
Media / Broth Used [Antimicrobial Assay/Test]Middlebrook 7H9 broth supplemented with 10 % OADC medium
Cytotoxicity Assay [AID]N/A
Molecular Weight188.047
Molecular FormulaC11H8O3
SMILESOc1c2c(cc(c1)C)C(=O)C=CC2=O
XLogP0.898
PSA54.370
H-bond Donor1
H-bond Acceptor3
No. of Rotatable Bond Count0
No. of Rings2
No. of N0
No. of O3
No. of S0
Reference(s)1) McGaw LJ, Lall N, Hlokwe TM, Michel AL, Meyer JJ, Eloff JN.Purified compounds and extracts from Euclea species with antimycobacterial activity against Mycobacterium bovis and fast-growing mycobacteria.Biol Pharm Bull. 2008 Jul;31(7):1429-33

Curator

                  Record - 6 of 17   [TOP]
Compound ID3668
Compound Structure
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Plant SourceEngelhardia roxburghiana Hay     Common Name:
Source FamilyJuglandaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test DoneAgar - Dilution Test
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/mlNR
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified5 - Hydroxy - 4 - Methoxy - 1 - Tetralone
PubChem ID   11355988
Ethnomedicinal Information
PubMed ID [Source Literature]15729627
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Bicyclic, Napthalene, Ketone, Ether, Phenol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight192.079
Molecular FormulaC11H12O3
SMILESO([C@H]1CCC(=O)c2c1c(O)ccc2)C
XLogP0.849
PSA46.530
H-bond Donor1
H-bond Acceptor3
No. of Rotatable Bond Count1
No. of Rings2
No. of N0
No. of O3
No. of S0
Reference(s)1) Lin WY, Peng CF, Tsai IL, Chen JJ, Cheng MJ, Chen IS.Antitubercular constituents from the roots of Engelhardia roxburghiana.Planta Med. 2005 Feb;71(2):171-5

CuratorVsheeba, vikramjitmandal

                  Record - 7 of 17   [TOP]
Compound ID3801
Compound Structure
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Plant SourceDiospyros anisandra     Common Name:
Source FamilyEbenaceae
OriginMexico
Plant Part UsedStem bark
ExtractHexane
Target BacteriaMycobacterium tuberculosis H37Rv (ATCC 27 294)
Assay / Test DoneMicroplate Alamar Blue Assay (MABA)
Positive Control Used (conc.)Rifampin (0.06–2.00 µg/ml), Ofloxacin (0.50–16.00 µg/ml)
Inhibition [%]
Activity [MIC] µg/ml12.5 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedPlumbagin
PubChem ID   10205
Ethnomedicinal Information
PubMed ID [Source Literature]17498888
Extract PreparationHexane and dichloromethane extracts
Chemical Classification [Active Compound]Aromatic, Bicyclic, Napthalene, Quinone, Phenol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight188.047
Molecular FormulaC11H8O3
SMILESOc1c2c(C(=O)C(=CC2=O)C)ccc1
XLogP0.756
PSA54.370
H-bond Donor1
H-bond Acceptor3
No. of Rotatable Bond Count0
No. of Rings2
No. of N0
No. of O3
No. of S0
Reference(s)1) Borges-Argáez R, Canche-Chay CI, Peña-Rodríguez LM, Said-Fernández S, Molina-Salinas GM.Antimicrobial activity of Diospyros anisandra.Fitoterapia. 2007 Jul;78(5):370-2. Epub 2007 Apr 11

CuratorVsheeba, vikramjitmandal

                  Record - 8 of 17   [TOP]
Compound ID3802
Compound Structure
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Plant SourceDiospyros anisandra     Common Name:
Source FamilyEbenaceae
OriginMexico
Plant Part UsedStem bark
ExtractHexane
Target BacteriaMycobacterium tuberculosis H37Rv (CIBIN / UMF15 : 099)
Assay / Test DoneMicroplate Alamar Blue Assay (MABA)
Positive Control Used (conc.)Rifampin (0.06–2.00 µg/ml), Ofloxacin (0.50–16.00 µg/ml)
Inhibition [%]
Activity [MIC] µg/ml6.25 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedPlumbagin
PubChem ID   10205
Ethnomedicinal Information
PubMed ID [Source Literature]17498888
Extract PreparationHexane and dichloromethane extracts
Chemical Classification [Active Compound]Aromatic, Bicyclic, Napthalene, Quinone, Phenol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight188.047
Molecular FormulaC11H8O3
SMILESOc1c2c(C(=O)C(=CC2=O)C)ccc1
XLogP0.756
PSA54.370
H-bond Donor1
H-bond Acceptor3
No. of Rotatable Bond Count0
No. of Rings2
No. of N0
No. of O3
No. of S0
Reference(s)1) Borges-Argáez R, Canche-Chay CI, Peña-Rodríguez LM, Said-Fernández S, Molina-Salinas GM.Antimicrobial activity of Diospyros anisandra.Fitoterapia. 2007 Jul;78(5):370-2. Epub 2007 Apr 11

CuratorVsheeba, vikramjitmandal

                  Record - 9 of 17   [TOP]
Compound ID4076
Compound Structure
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Plant SourceRumex nepalensis     Common Name:
Source FamilyPolygonaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml9.2 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedRumexneposide A
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Bicyclic, Napthalene, Ether, O-Acetyl, Phenol, Sugar
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight446.158
Molecular FormulaC23H26O9
SMILESO[C@H]1[C@H](O)[C@@H](COC(=O)/C=C/C)O[C@@H](Oc2cccc3c2c(O)c(C(=O)C)c(C)c3)[C@@H]1O
XLogP2.597
PSA142.750
H-bond Donor4
H-bond Acceptor9
No. of Rotatable Bond Count7
No. of Rings3
No. of N0
No. of O9
No. of S0
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

                  Record - 10 of 17   [TOP]
Compound ID4077
Compound Structure
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Plant SourceRumex nepalensis     Common Name:
Source FamilyPolygonaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml1.5 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedTorachrysone
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Bicyclic, Napthalene, Ether, Ketone, Phenol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight246.089
Molecular FormulaC14H14O4
SMILESCc1cc2cc(OC)cc(O)c2c(O)c1C(=O)C
XLogP1.923
PSA66.760
H-bond Donor2
H-bond Acceptor4
No. of Rotatable Bond Count2
No. of Rings2
No. of N0
No. of O4
No. of S0
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

                  Record - 11 of 17   [TOP]
Compound ID4078
Compound Structure
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Plant SourceRumex hastatus     Common Name:
Source FamilyPolygonaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml1.5 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedTorachrysone
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Bicyclic, Napthalene, Ether, Ketone, Phenol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight246.089
Molecular FormulaC14H14O4
SMILESCc1cc2cc(OC)cc(O)c2c(O)c1C(=O)C
XLogP1.923
PSA66.760
H-bond Donor2
H-bond Acceptor4
No. of Rotatable Bond Count2
No. of Rings2
No. of N0
No. of O4
No. of S0
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

                  Record - 12 of 17   [TOP]
Compound ID4079
Compound Structure
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Plant SourceRumex nepalensis     Common Name:
Source FamilyPolygonaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml10 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedEJMC180
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Bicyclic, Napthalene, Ketone, Phenol, Sugar
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight378.131
Molecular FormulaC19H22O8
SMILESO[C@H]1[C@H](O)[C@@H](CO)O[C@@H](Oc2cccc3c2c(O)c(C(=O)C)c(C)c3)[C@@H]1O
XLogP1.470
PSA136.680
H-bond Donor5
H-bond Acceptor8
No. of Rotatable Bond Count4
No. of Rings3
No. of N0
No. of O8
No. of S0
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

                  Record - 13 of 17   [TOP]
Compound ID4080
Compound Structure
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Plant SourceRumex hastatus     Common Name:
Source FamilyPolygonaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml10 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedEJMC180
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Bicyclic, Napthalene, Ketone, Phenol, Sugar
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight378.131
Molecular FormulaC19H22O8
SMILESO[C@H]1[C@H](O)[C@@H](CO)O[C@@H](Oc2cccc3c2c(O)c(C(=O)C)c(C)c3)[C@@H]1O
XLogP1.470
PSA136.680
H-bond Donor5
H-bond Acceptor8
No. of Rotatable Bond Count4
No. of Rings3
No. of N0
No. of O8
No. of S0
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

                  Record - 14 of 17   [TOP]
Compound ID4081
Compound Structure
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Plant SourceRumex nepalensis     Common Name:
Source FamilyPolygonaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml3.6 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedEJMC181
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Bicyclic, Napthalene, Ketone, Ether, Phenol, Sugar
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight408.142
Molecular FormulaC20H24O9
SMILESO[C@H]1[C@H](O)[C@@H](CO)O[C@@H](Oc2cc(OC)cc3c2c(O)c(C(=O)C)c(C)c3)[C@@H]1O
XLogP0.815
PSA145.910
H-bond Donor5
H-bond Acceptor9
No. of Rotatable Bond Count5
No. of Rings3
No. of N0
No. of O9
No. of S0
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

                  Record - 15 of 17   [TOP]
Compound ID4082
Compound Structure
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Plant SourceRumex hastatus     Common Name:
Source FamilyPolygonaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml3.6 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedEJMC181
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Bicyclic, Napthalene, Ketone, Ether, Phenol, Sugar
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight408.142
Molecular FormulaC20H24O9
SMILESO[C@H]1[C@H](O)[C@@H](CO)O[C@@H](Oc2cc(OC)cc3c2c(O)c(C(=O)C)c(C)c3)[C@@H]1O
XLogP0.815
PSA145.910
H-bond Donor5
H-bond Acceptor9
No. of Rotatable Bond Count5
No. of Rings3
No. of N0
No. of O9
No. of S0
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

                  Record - 16 of 17   [TOP]
Compound ID4086
Compound Structure
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Plant SourceEngelhardia roxburghiana     Common Name:
Source FamilyJuglandaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml30 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified2-Methoxyjuglone
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Bicyclic, Napthalene, Quinone, Ether, Phenol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight204.042
Molecular FormulaC11H8O4
SMILESO=C1C(=CC(=O)c2c(O)cccc12)OC
XLogP0.815
PSA63.600
H-bond Donor1
H-bond Acceptor4
No. of Rotatable Bond Count1
No. of Rings2
No. of N0
No. of O4
No. of S0
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

                  Record - 17 of 17   [TOP]
Compound ID4087
Compound Structure
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Plant SourceEngelhardia roxburghiana     Common Name:
Source FamilyJuglandaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml3.125 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified3-Methoxyjuglone
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Bicyclic, Napthalene, Quinone, Ether, Phenol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight204.042
Molecular FormulaC11H8O4
SMILESO=C1C(=CC(=O)c2cccc(O)c12)OC
XLogP0.815
PSA63.600
H-bond Donor1
H-bond Acceptor4
No. of Rotatable Bond Count1
No. of Rings2
No. of N0
No. of O4
No. of S0
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


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