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                  Page - 1 of 1                  Record - 1 of 8   [TOP]
Compound ID4047
Compound Structure
DOWNLOAD:
Plant SourceEriosema chinense     Common Name:
Source FamilyLeguminosae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml25 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedKhonklonginol A
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Tetracyclic, Flavonoid, Benzopyran, Prenylated, Ether, Phenol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight436.189
Molecular FormulaC26H28O6
SMILESCC(=CCc1c2c(C(=O)[C@H](O)[C@@H](c3ccc(OC)cc3)O2)c(O)c2c1OC(C)(C)C=C2)C
XLogP3.951
PSA85.220
H-bond Donor2
H-bond Acceptor6
No. of Rotatable Bond Count4
No. of Rings4
No. of N0
No. of O6
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 8   [TOP]
Compound ID4048
Compound Structure
DOWNLOAD:
Plant SourceEriosema chinense     Common Name:
Source FamilyLeguminosae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml50 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedKhonklonginol B
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Tetracyclic, Flavonoid, Benzopyran, Ether, Prenylated, Phenol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight436.189
Molecular FormulaC26H28O6
SMILESCC(=CCc1c2c(C(=O)[C@@H](O)[C@@H](c3ccc(OC)cc3)O2)c(O)c2c1OC(C)(C)C=C2)C
XLogP3.951
PSA85.220
H-bond Donor2
H-bond Acceptor6
No. of Rotatable Bond Count4
No. of Rings4
No. of N0
No. of O6
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 8   [TOP]
Compound ID4049
Compound Structure
DOWNLOAD:
Plant SourceEriosema chinense     Common Name:
Source FamilyLeguminosae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml25 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedKhonklonginol H
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Tetracyclic, Flavonoid, Benzopyran, Ether, Prenylated, Phenol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight436.189
Molecular FormulaC26H28O6
SMILESCC(=CCc1c2c(C(=O)C[C@@H](c3c(O)cc(OC)cc3)O2)c(O)c2c1OC(C)(C)C=C2)C
XLogP3.323
PSA85.220
H-bond Donor2
H-bond Acceptor6
No. of Rotatable Bond Count4
No. of Rings4
No. of N0
No. of O6
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 8   [TOP]
Compound ID4050
Compound Structure
DOWNLOAD:
Plant SourceEriosema chinense     Common Name:
Source FamilyLeguminosae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml25 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedLupinifolinol
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Tetracyclic, Flavonoid, Benzopyran, Prenylated, Phenol, Alcohol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight422.173
Molecular FormulaC25H26O6
SMILESCC(=CCc1c2c(C(=O)[C@H](O)[C@@H](c3ccc(O)cc3)O2)c(O)c2c1OC(C)(C)C=C2)C
XLogP3.432
PSA96.220
H-bond Donor3
H-bond Acceptor6
No. of Rotatable Bond Count3
No. of Rings4
No. of N0
No. of O6
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 8   [TOP]
Compound ID4051
Compound Structure
DOWNLOAD:
Plant SourceEriosema chinense     Common Name:
Source FamilyLeguminosae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml12.5 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedDehydrolupinifolinol
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Tetracyclic, Flavonoid, Benzopyran, Prenylated, Phenol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight420.157
Molecular FormulaC25H24O6
SMILESCC(=CCc1c2c(c(=O)c(O)c(c3ccc(O)cc3)o2)c(O)c2c1OC(C)(C)C=C2)C
XLogP4.480
PSA86.990
H-bond Donor3
H-bond Acceptor5
No. of Rotatable Bond Count3
No. of Rings4
No. of N0
No. of O6
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 - 6 of 8   [TOP]
Compound ID4052
Compound Structure
DOWNLOAD:
Plant SourceEriosema chinense     Common Name:
Source FamilyLeguminosae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml12.5 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedFlemichin
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Tetracyclic, Flavonoid, Benzopyran, Prenylated, Phenol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight422.173
Molecular FormulaC25H26O6
SMILESCC(=CCc1c2c(C(=O)C[C@@H](c3c(O)cc(O)cc3)O2)c(O)c2c1OC(C)(C)C=C2)C
XLogP2.804
PSA96.220
H-bond Donor3
H-bond Acceptor6
No. of Rotatable Bond Count3
No. of Rings4
No. of N0
No. of O6
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 - 7 of 8   [TOP]
Compound ID4053
Compound Structure
DOWNLOAD:
Plant SourceEriosema chinense     Common Name:
Source FamilyLeguminosae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml12.5 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedEriosemaone A
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Tetracyclic, Flavonoid, Benzopyran, Prenylated, Phenol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight422.173
Molecular FormulaC25H26O6
SMILESOc1c2C(=O)C[C@@H](c3c(O)cc(O)cc3)Oc2c2C=CC(C)(C)Oc2c1CC=C(C)C
XLogP2.804
PSA96.220
H-bond Donor3
H-bond Acceptor6
No. of Rotatable Bond Count3
No. of Rings4
No. of N0
No. of O6
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 - 8 of 8   [TOP]
Compound ID4054
Compound Structure
DOWNLOAD:
Plant SourceEriosema chinense     Common Name:
Source FamilyLeguminosae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml12.5 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedLupinifolin
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Tetracyclic, Flavonoid, Benzopyran, Prenylated, Phenol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight406.178
Molecular FormulaC25H26O5
SMILESCC(=CCc1c2c(C(=O)C[C@@H](c3ccc(O)cc3)O2)c(O)c2c1OC(C)(C)C=C2)C
XLogP3.767
PSA75.990
H-bond Donor2
H-bond Acceptor5
No. of Rotatable Bond Count3
No. of Rings4
No. of N0
No. of O5
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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