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                  Page - 1 of 1                  Record - 1 of 5   [TOP]
Compound ID4106
Compound Structure
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Plant SourceHydnocarpus anthelmintica     Common Name:
Source FamilyAchariaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Rv
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 IdentifiedAntihelminthicin A
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Fattyacid, Ketone
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight266.188
Molecular FormulaC16H26O3
SMILESOC(=O)CCCCCCCCCC(=O)C1=CCCC1
XLogP4.129
PSA54.370
H-bond Donor1
H-bond Acceptor3
No. of Rotatable Bond Count11
No. of Rings1
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 - 2 of 5   [TOP]
Compound ID4107
Compound Structure
DOWNLOAD:
Plant SourceHydnocarpus anthelmintica     Common Name:
Source FamilyAchariaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml5 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedAntihelminthicin B
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Fattyacid, Monoglyceride
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight298.214
Molecular FormulaC17H30O4
SMILESOCC(O)COC(=O)CCCCCCCC[C@H]1C=CCC1
XLogP4.451
PSA66.760
H-bond Donor2
H-bond Acceptor4
No. of Rotatable Bond Count13
No. of Rings1
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 ID4108
Compound Structure
DOWNLOAD:
Plant SourceHydnocarpus anthelmintica     Common Name:
Source FamilyAchariaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml1.6 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedAntihelminthicin C
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Fattyacid, Monoglyceride
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight354.277
Molecular FormulaC21H38O4
SMILESOCC(O)COC(=O)CCCCCCCCCCCC[C@H]1C=CCC1
XLogP6.727
PSA66.760
H-bond Donor2
H-bond Acceptor4
No. of Rotatable Bond Count17
No. of Rings1
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 - 4 of 5   [TOP]
Compound ID4109
Compound Structure
DOWNLOAD:
Plant SourceHydnocarpus anthelmintica     Common Name:
Source FamilyAchariaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml3 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedChaulmoogric acid
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Fattyacid, Acid
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight280.240
Molecular FormulaC18H32O2
SMILESCCOC(=O)CCCCCCCCCCCC[C@H]1C=CCC1
XLogP7.787
PSA37.300
H-bond Donor1
H-bond Acceptor2
No. of Rotatable Bond Count13
No. of Rings1
No. of N0
No. of O2
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 ID4110
Compound Structure
DOWNLOAD:
Plant SourceHydnocarpus anthelmintica     Common Name:
Source FamilyAchariaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml4.7 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedEthyl chaulmoograte
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Fattyacid, Ester
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight308.272
Molecular FormulaC20H36O2
SMILESCCOC(=O)CCCCCCCCCCCC[C@H]1CCC=C1
XLogP8.531
PSA26.300
H-bond Donor0
H-bond Acceptor2
No. of Rotatable Bond Count15
No. of Rings1
No. of N0
No. of O2
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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