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                  Page - 1 of 1                  Record - 1 of 5   [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 - 2 of 5   [TOP]
Compound ID4077
Compound Structure
DOWNLOAD:
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 - 3 of 5   [TOP]
Compound ID4079
Compound Structure
DOWNLOAD:
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 - 4 of 5   [TOP]
Compound ID4081
Compound Structure
DOWNLOAD:
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 - 5 of 5   [TOP]
Compound ID4083
Compound Structure
DOWNLOAD:
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/ml1.8 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedEJMC182
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Tricyclic, Anthraquinone, Phenol, O-Acetyl, Sugar
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight458.121
Molecular FormulaC23H22O10
SMILESO[C@H]1[C@H](O)[C@@H](COC(=O)C)O[C@@H](Oc2cccc3C(=O)c4c(c(O)cc(C)c4)C(=O)c23)[C@@H]1O
XLogP0.830
PSA159.820
H-bond Donor4
H-bond Acceptor10
No. of Rotatable Bond Count5
No. of Rings4
No. of N0
No. of O10
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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