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                  Page - 1 of 1                  Record - 1 of 4   [TOP]
Compound ID4023
Compound Structure
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Plant SourceJungermannia exsertifolia subsp. cordifolia     Common Name:
Source FamilyJungermanniaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml61 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedEnt-3β-hydroxytrachylobane
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Tetracyclic, Terpene, Diterpene, Alcohol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight288.245
Molecular FormulaC20H32O
SMILESO[C@H]1CC[C@]2(C)[C@H](CC[C@]34[C@H]2C[C@@H]2C(C3)[C@]2(C)C4)C1(C)C
XLogP7.173
PSA20.230
H-bond Donor1
H-bond Acceptor1
No. of Rotatable Bond Count0
No. of Rings4
No. of N0
No. of O1
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 4   [TOP]
Compound ID4024
Compound Structure
DOWNLOAD:
Plant SourceJungermannia exsertifolia subsp. cordifolia     Common Name:
Source FamilyJungermanniaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Rv
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 IdentifiedEnt-3β-hydroxytrachyloban-2-one
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Tetracyclic, Terpene, Diterpene, Ketone
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight286.230
Molecular FormulaC20H30O
SMILESCC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@]13[C@H]2C[C@@H]2C(C1)[C@]2(C)C3
XLogP6.566
PSA17.070
H-bond Donor0
H-bond Acceptor1
No. of Rotatable Bond Count0
No. of Rings4
No. of N0
No. of O1
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 4   [TOP]
Compound ID4025
Compound Structure
DOWNLOAD:
Plant SourceJungermannia exsertifolia subsp. cordifolia     Common Name:
Source FamilyJungermanniaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml59 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedEnt-3β-acetoxy-19-hydroxytrachylobane
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Tetracyclic, Terpene, Diterpene, Alcohol, O-Acetyl
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight346.251
Molecular FormulaC22H34O3
SMILESC[C@]1(CO)[C@@H](OC(=O)C)CC[C@]2(C)[C@@H]1CC[C@]13[C@H]2C[C@@H]2C(C1)[C@]2(C)C3
XLogP6.781
PSA46.530
H-bond Donor1
H-bond Acceptor3
No. of Rotatable Bond Count3
No. of Rings4
No. of N0
No. of O3
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 4   [TOP]
Compound ID4026
Compound Structure
DOWNLOAD:
Plant SourceJungermannia exsertifolia subsp. cordifolia     Common Name:
Source FamilyJungermanniaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml24 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedEnt-trachyloban-17-al
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Tetracyclic, Terpene, Diterpene, Aldehyde
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight286.230
Molecular FormulaC20H30O
SMILESCC1(C)CCC[C@]2(C)[C@@H]1CC[C@]13[C@H]2C[C@@H]2C(C1)[C@]2(C=O)C3
XLogP7.600
PSA17.070
H-bond Donor0
H-bond Acceptor1
No. of Rotatable Bond Count1
No. of Rings4
No. of N0
No. of O1
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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