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                  Page - 1 of 1                  Record - 1 of 4   [TOP]
Compound ID3553
Compound Structure
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Plant SourceColubrina retusa (Ditter)     Common Name:
Source FamilyRhamnaceae
OriginVenezuela
Plant Part UsedStem
Extract
Target BacteriaMycobacterium intracellulare (ATCC 23068)
Assay / Test DoneOADC - Supplemented Middlebrook Broth
Positive Control Used (conc.)Rifampin (0.3 µg/ml)
Inhibition [%]
Activity [MIC] µg/ml10 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedJujubogenin 3 - O - α - L - Arabinofuranosyl (1-->2) - [3 - O - (Trans) - P - Coumaroyl - β - D - Glucopyranosyl (1-->3)] - α - L - Arabinopyranoside
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]10514332
Extract PreparationAir dried stem were powdered, extracted at 37°C in ethanol, suspended in water and then again extracted with chloroform and then with butanol and finally evaporated to dryness to yield the compound
Chemical Classification [Active Compound]Alicyclic, Polycyclic, Steroid, Pyran, Cinnamate, Sugar
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight1044.529
Molecular FormulaC55H80O19
SMILESC1C[C@@H](C(C2[C@]1(C1[C@@](CC2)(C23C(CC1)C1C(C2)(OC(C[C@@]1(O)C)C=C(C)C)OC3)C)C)(C)C)OC1OC[C@@H]([C@@H]([C@@H]1OC1O[C@@H]([C@@H]([C@@H]1O)O)CO)O[C@@H]1OC([C@@H]([C@@H](C1O)OC(=O)/C=C/c1ccc(cc1)O)O)CO)O
XLogP5.255
PSA282.210
H-bond Donor9
H-bond Acceptor19
No. of Rotatable Bond Count13
No. of Rings10
No. of N0
No. of O19
No. of S0
Reference(s)1) ElSohly HN, Danner S, Li XC, Nimrod AC, Clark AM.New antimycobacterial saponin from Colubrina retusa.J Nat Prod. 1999 Sep;62(9):1341-2

CuratorFarzana-shamsudeen, vikramjitmandal

                  Record - 2 of 4   [TOP]
Compound ID4100
Compound Structure
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Plant SourceGoniothalamus laoticus     Common Name:
Source FamilyAnnonaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml6.25 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedHowiinin A
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Styryllactone, Cinnamate, Lactone, Ester, Epoxy
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight362.115
Molecular FormulaC22H18O5
SMILES[C@H]1([C@@H]([C@H]2OC(=O)C=C[C@H]2OC(=O)/C=C/c2ccccc2)O1)c1ccccc1
XLogP7.045
PSA65.130
H-bond Donor0
H-bond Acceptor5
No. of Rotatable Bond Count6
No. of Rings4
No. of N0
No. of O5
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 ID4132
Compound Structure
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Plant SourceKaempferia galanga     Common Name:
Source FamilyZingiberaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml0.1 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedEJMC169
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Cinnamate, Ester, Ether
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight206.094
Molecular FormulaC12H14O3
SMILESCCOC(=O)/C=C/c1ccc(OC)cc1
XLogP3.149
PSA35.530
H-bond Donor0
H-bond Acceptor3
No. of Rotatable Bond Count5
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 ID4133
Compound Structure
DOWNLOAD:
Plant SourceKaempferia galanga     Common Name:
Source FamilyZingiberaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml0.05 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedEJMC169
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Cinnamate, Ester, Ether
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight206.094
Molecular FormulaC12H14O3
SMILESCCOC(=O)/C=C/c1ccc(OC)cc1
XLogP3.149
PSA35.530
H-bond Donor0
H-bond Acceptor3
No. of Rotatable Bond Count5
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


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