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                  Page - 1 of 1                  Record - 1 of 4   [TOP]
Compound ID4088
Compound Structure
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Plant SourcePourthiaea lucida     Common Name:
Source FamilyRosaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml30 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identifiedα-tocospiro A
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Bicyclic, Tocopheride, Ketone, Alcohol, Acetyl, Spiro
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight460.392
Molecular FormulaC30H52O3
SMILESCC(=O)[C@@]1(O)[C@@]2(C[C@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)C(=O)C(=C1C)C
XLogP9.763
PSA54.370
H-bond Donor1
H-bond Acceptor3
No. of Rotatable Bond Count13
No. of Rings2
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 ID4089
Compound Structure
DOWNLOAD:
Plant SourcePourthiaea lucida     Common Name:
Source FamilyRosaceae
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 Identifiedα-tocospiro B
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Bicyclic, Tocopheride, Ketone, Alcohol, Ether, Acetyl, Spiro
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight448.355
Molecular FormulaC28H48O4
SMILESCC(=O)[C@@]1(O)[C@@]2(O[C@@H](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2)C(=O)C(=C1C)C
XLogP7.554
PSA63.600
H-bond Donor1
H-bond Acceptor4
No. of Rotatable Bond Count13
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 4   [TOP]
Compound ID4090
Compound Structure
DOWNLOAD:
Plant SourcePourthiaea lucida     Common Name:
Source FamilyRosaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Rv
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 Identifiedα-tocopherylquinone
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Tocopheride, Quinone, O-Acetyl, Alcohol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight446.376
Molecular FormulaC29H50O3
SMILESO=C1C(=C(C)C(=O)C(=C1C)CC[C@@](O)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C
XLogP8.993
PSA54.370
H-bond Donor1
H-bond Acceptor3
No. of Rotatable Bond Count15
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 - 4 of 4   [TOP]
Compound ID4091
Compound Structure
DOWNLOAD:
Plant SourceCallicarpa pilosissima     Common Name:
Source FamilyLamiaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml31.2 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedEJMC197
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Tocopheride, Trimeric, Benzopyran, Ether
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight1257.065
Molecular FormulaC85H140O6
SMILESCC1=C(C)C(=O)C2([C@]34[C@@]1(Oc1c(C3)c3c(cc1)O[C@](CC3)(C)CCCCCCCCCCCCCCCC)O[C@](CC4)(C)CCCCCCCCCCCCCCCC)CCc1c3CC[C@@](C)(CCCCCCCCCCCCCCCC)Oc3c(C)c(C)c1O2
XLogP31.835
PSA63.220
H-bond Donor0
H-bond Acceptor6
No. of Rotatable Bond Count45
No. of Rings8
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


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