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                  Page - 1 of 1                  Record - 1 of 6   [TOP]
Compound ID3953
Compound Structure
DOWNLOAD:
Plant SourceIpomoea tyrianthina     Common Name:NR
Source FamilyConvolvulaceae
OriginNR
Plant Part UsedRoot
ExtractNR
Target BacteriaMycobacterium tuberculosis
Assay / Test DoneNR
Positive Control Used (conc.)NR
Inhibition [%]NR
Activity [MIC] µg/ml100 µg/ml
Activity (In terms of dilution)NR
Activity (Zone of inhibition in mm)NR
Active Compound IdentifiedTyrianthin A
PubChem ID   56674844
Ethnomedicinal InformationNR
PubMed ID [Source Literature]19596196
Extract PreparationNR
Chemical Classification [Active Compound]Alicyclic, Fattyacid, Tyrianthinic acids, Glycolipid, Glycoside, Acylated
Media / Broth Used [Antimicrobial Assay/Test]NR
Cytotoxicity Assay [AID]NR
Molecular Weight2093.117
Molecular FormulaC100H172O45
SMILESO1C2C(OC3C(O)C(O)C(OC3OC(CCCCCCCCCC(=O)OC3C(OC4OC(C(OC(=O)CCCCCCCCCC(OC5OC(C(O)C(O)C5OC5OC(C(O)C(O)C5OC5OC(C(OC6OC(C(OC(=O)C(CC)C)C(O)C6O)C)C(O)C5OC(=O)C(C(O)C)C)C)CO)C)CCCCC)C(O)C4O)C)C(OC1C3OC(=O)C(C(O)C)C)C)CCCCC)C)OC(C(O)C2O)COC(=O)C(C(O)C)C
XLogP6.942
PSA649.390
H-bond Donor17
H-bond Acceptor45
No. of Rotatable Bond Count48
No. of Rings9
No. of N0
No. of O45
No. of S0
Reference(s)1) León-Rivera I, Mirón-López G, Estrada-Soto S, Aguirre-Crespo F, Gutiérrez Mdel C, Molina-Salinas GM, Hurtado G, Navarrete-Vázquez G, Montiel E.Glycolipid ester-type heterodimers from Ipomoea tyrianthina and their pharmacological activity.Bioorg Med Chem Lett. 2009 Aug 15;19(16):4652-6. Epub 2009 Jun 25

CuratorKeyaMukherjee, vsheeba

                  Record - 2 of 6   [TOP]
Compound ID3954
Compound Structure
DOWNLOAD:
Plant SourceIpomoea tyrianthina     Common Name:NR
Source FamilyConvolvulaceae
OriginNR
Plant Part UsedRoot
ExtractNR
Target BacteriaMycobacterium tuberculosis
Assay / Test DoneNR
Positive Control Used (conc.)NR
Inhibition [%]NR
Activity [MIC] µg/ml100 µg/ml
Activity (In terms of dilution)NR
Activity (Zone of inhibition in mm)NR
Active Compound IdentifiedTyrianthin B
PubChem ID   56664530
Ethnomedicinal InformationNR
PubMed ID [Source Literature]19596196
Extract PreparationNR
Chemical Classification [Active Compound]Alicyclic, Fattyacid, Tyrianthinic acids, Glycolipid, Glycoside, Acylated
Media / Broth Used [Antimicrobial Assay/Test]NR
Cytotoxicity Assay [AID]NR
Molecular Weight1979.049
Molecular FormulaC94H162O43
SMILESO1C2C(OC3C(O)C(O)C(OC3OC(CCCCCCCCCC(=O)OC3C(OC4OC(C(OC(=O)CCCCCCCCCC(OC5OC(C(O)C(O)C5OC5OC(C(O)C(O)C5OC5OC(C(OC6OC(C(O)C(O)C6O)C)C(O)C5OC(=O)CCC)C)CO)C)CCCCC)C(O)C4O)C)C(OC1C3OC(=O)C(C(O)C)C)C)CCCCC)C)OC(C(O)C2O)COC(=O)C(C(O)C)C
XLogP6.464
PSA623.090
H-bond Donor17
H-bond Acceptor43
No. of Rotatable Bond Count44
No. of Rings9
No. of N0
No. of O43
No. of S0
Reference(s)1) León-Rivera I, Mirón-López G, Estrada-Soto S, Aguirre-Crespo F, Gutiérrez Mdel C, Molina-Salinas GM, Hurtado G, Navarrete-Vázquez G, Montiel E.Glycolipid ester-type heterodimers from Ipomoea tyrianthina and their pharmacological activity.Bioorg Med Chem Lett. 2009 Aug 15;19(16):4652-6. Epub 2009 Jun 25

CuratorKeyaMukherjee, vsheeba

                  Record - 3 of 6   [TOP]
Compound ID4116
Compound Structure
DOWNLOAD:
Plant SourceIpomoea tyrianthina     Common Name:
Source FamilyConvolvulaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Rv ATCC 27294
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 IdentifiedEJMC238
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Fattyacid, Tyrianthinic acids, Glycolipid, Glycoside, Acylated
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight910.477
Molecular FormulaC43H74O20
SMILESO[C@H]1[C@H](O)[C@H]2O[C@H]3[C@H](O[C@H]4[C@H](OC(=O)CC)[C@H](OC(=O)CCCCCCCCCC(O[C@@H]2O[C@@H]1C)CCCCC)[C@@H](O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](C)O1)[C@H](C)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3
XLogP3.259
PSA288.280
H-bond Donor8
H-bond Acceptor20
No. of Rotatable Bond Count10
No. of Rings5
No. of N0
No. of O20
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 6   [TOP]
Compound ID4117
Compound Structure
DOWNLOAD:
Plant SourceIpomoea tyrianthina     Common Name:
Source FamilyConvolvulaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Rv ATCC 27295
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 IdentifiedEJMC239
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Fattyacid, Tyrianthinic acids, Glycolipid, Glycoside, Acylated
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight938.509
Molecular FormulaC45H78O20
SMILESO[C@H]1[C@H](O)[C@H]2O[C@H]3[C@H](O[C@H]4[C@H](OC(=O)C(CC)C)[C@H](OC(=O)CCCCCCCCCC(O[C@@H]2O[C@@H]1C)CCCCC)[C@@H](O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](C)O1)[C@H](C)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3
XLogP4.121
PSA288.280
H-bond Donor8
H-bond Acceptor20
No. of Rotatable Bond Count11
No. of Rings5
No. of N0
No. of O20
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 6   [TOP]
Compound ID4118
Compound Structure
DOWNLOAD:
Plant SourceIpomoea tyrianthina     Common Name:
Source FamilyConvolvulaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Rv ATCC 27296
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 IdentifiedEJMC240
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Aliphatic, Fatty acid, Acyl, Sugar
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight1072.567
Molecular FormulaC50H88O24
SMILESO[C@H]1[C@H](O)[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](OC(=O)C(CC)C)[C@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](OC(=O)C(C)C(O)C)[C@@H](C)O4)[C@H](C)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@H](O[C@@](CCCCC)(O)CCCCCCCCCC(=O)O)O[C@@H]1C
XLogP2.908
PSA366.040
H-bond Donor11
H-bond Acceptor24
No. of Rotatable Bond Count31
No. of Rings4
No. of N0
No. of O24
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 6   [TOP]
Compound ID4119
Compound Structure
DOWNLOAD:
Plant SourceIpomoea tyrianthina     Common Name:
Source FamilyConvolvulaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Rv ATCC 27297
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 IdentifiedEJMC241
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Aliphatic, Fatty acid, Acyl, Sugar
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight1054.556
Molecular FormulaC50H86O23
SMILESO[C@H]1[C@H](O)[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](OC(=O)C(CC)C)[C@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](OC(=O)/C(=C/C)/C)[C@@H](C)O4)[C@H](C)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@H](O[C@@](CCCCC)(O)CCCCCCCCCC(=O)O)O[C@@H]1C
XLogP4.031
PSA345.810
H-bond Donor10
H-bond Acceptor23
No. of Rotatable Bond Count30
No. of Rings4
No. of N0
No. of O23
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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