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                  Page - 1 of 1                  Record - 1 of 4   [TOP]
Compound ID4012
Compound Structure
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Plant SourceAzorella compacta     Common Name:
Source FamilyApiaceae (Umbelliferae)
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Rv ATCC 27294 and Mycobacterium tuberculosis CIBIN/UMF 15:99 clinical isolate
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 IdentifiedAzorellanol
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Tricyclic,Terpene, Diterpene, O-Acetyl, Alcohol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight348.266
Molecular FormulaC22H36O3
SMILESC[C@@]12[C@@H](C(C)C)CC[C@H]1[C@@]13[C@H]([C@@](O)(C)CC[C@]3(C)[C@@H](OC(=O)C)C2)C1
XLogP6.251
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 - 2 of 4   [TOP]
Compound ID4013
Compound Structure
DOWNLOAD:
Plant SourceAzorella compacta     Common Name:
Source FamilyApiaceae (Umbelliferae)
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Rv ATCC 27294 and Mycobacterium tuberculosis CIBIN/UMF 15:99 clinical isolate
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 Identified17-acetoxy-13α-hydroxyazorellane
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Tricyclic, Terpene, Diterpene, O-Acetyl, Alcohol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight362.282
Molecular FormulaC23H38O3
SMILESCC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(COC(=O)C)[C@]32[C@](C3)(C)[C@@](O)(C)CC1
XLogP6.966
PSA46.530
H-bond Donor1
H-bond Acceptor3
No. of Rotatable Bond Count4
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 - 3 of 4   [TOP]
Compound ID4146
Compound Structure
DOWNLOAD:
Plant SourceAzorella compacta     Common Name:
Source FamilyApiaceae (Umbelliferae)
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Rv ATCC 27294
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 IdentifiedAzorellanone
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Tricyclic, Terpene, Diterpene, Ketone, Alcohol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight304.240
Molecular FormulaC20H32O2
SMILESC[C@]12[C@H](C(C)C)CC[C@@H]1[C@]13[C@@H]([C@](O)(C)CC[C@@]3(C)C(=O)C2)C1
XLogP4.904
PSA37.300
H-bond Donor1
H-bond Acceptor2
No. of Rotatable Bond Count1
No. of Rings4
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 - 4 of 4   [TOP]
Compound ID4147
Compound Structure
DOWNLOAD:
Plant SourceAzorella compacta     Common Name:
Source FamilyApiaceae (Umbelliferae)
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis CIBIN/UMF 15:99 clinical isolate
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 IdentifiedAzorellanone
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Tricyclic, Terpene, Diterpene, Ketone, Alcohol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight304.240
Molecular FormulaC20H32O2
SMILESC[C@]12[C@H](C(C)C)CC[C@@H]1[C@]13[C@@H]([C@](O)(C)CC[C@@]3(C)C(=O)C2)C1
XLogP4.904
PSA37.300
H-bond Donor1
H-bond Acceptor2
No. of Rotatable Bond Count1
No. of Rings4
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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