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                  Page - 1 of 1                  Record - 1 of 6   [TOP]
Compound ID2048
Compound Structure
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Plant SourceLippia alba (Miller) N. E.Brown     Common Name:
Source FamilyVerbenaceae
OriginColombia, Puerto Rico, India
Plant Part UsedLeaf, stem
ExtractEssential oil (2.5 %)
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test DoneMacrodilution method in glass tubes
Positive Control Used (conc.)Rifampin (0.50 µg/ml), Isoniazid (0.03 µg/ml)
Inhibition [%]
Activity [MIC] µg/ml130 ± 95 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedGeranial
PubChem ID   638011
Ethnomedicinal InformationDigestive troubles in general, nausea, bronchitis, sore throat, flu, cough, cold, hypertension, skin diseases, wounds, stomach ache, nervous complaints, folklore medicine of Puerto Rico
PubMed ID [Source Literature]19753839
Extract PreparationN/A
Chemical Classification [Active Compound]Aliphatic, Alkene, Terpene, Monoterpene, Aldehyde
Media / Broth Used [Antimicrobial Assay/Test]N/A
Cytotoxicity Assay [AID]N/A
Molecular Weight152.120
Molecular FormulaC10H16O
SMILESO=C/C=C(/CCC=C(C)C)C
XLogP2.701
PSA17.070
H-bond Donor0
H-bond Acceptor1
No. of Rotatable Bond Count4
No. of Rings0
No. of N0
No. of O1
No. of S0
Reference(s)1) Bueno-Sánchez JG, Martínez-Morales JR, Stashenko EE, Ribón W.Anti-tubercular activity of eleven aromatic and medicinal plants occurring in Colombia.Biomedica. 2009 Mar;29(1):51-60

2) Thierry Hennebelle, Sevser Sahpaz, Henry Joseph, François Bailleul.Ethnopharmacology of Lippia alba.Journal of Ethnopharmacology, Volume 116, Issue 2, 5 March 2008, Pages 211-222

Curator

                  Record - 2 of 6   [TOP]
Compound ID2049
Compound Structure
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Plant SourceLippia alba (Miller) N. E.Brown     Common Name:
Source FamilyVerbenaceae
OriginColombia, Puerto Rico, India
Plant Part UsedLeaf, stem
ExtractEssential oil (2.5 %)
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test DoneMacrodilution method in glass tubes
Positive Control Used (conc.)Rifampin (0.50 µg/ml), Isoniazid (0.03 µg/ml)
Inhibition [%]
Activity [MIC] µg/ml130 ± 95 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedNeral
PubChem ID   643779
Ethnomedicinal InformationDigestive troubles in general, nausea, bronchitis, sore throat, flu, cough, cold, hypertension, skin diseases, wounds, stomach ache, nervous complaints, folklore medicine of Puerto Rico
PubMed ID [Source Literature]19753839
Extract PreparationN/A
Chemical Classification [Active Compound]Aliphatic, Alkene, Aldehyde
Media / Broth Used [Antimicrobial Assay/Test]N/A
Cytotoxicity Assay [AID]N/A
Molecular Weight152.120
Molecular FormulaC10H16O
SMILESO=C/C=C(CCC=C(C)C)/C
XLogP2.701
PSA17.070
H-bond Donor0
H-bond Acceptor1
No. of Rotatable Bond Count4
No. of Rings0
No. of N0
No. of O1
No. of S0
Reference(s)1) Bueno-Sánchez JG, Martínez-Morales JR, Stashenko EE, Ribón W.Anti-tubercular activity of eleven aromatic and medicinal plants occurring in Colombia.Biomedica. 2009 Mar;29(1):51-60

2) Thierry Hennebelle, Sevser Sahpaz, Henry Joseph, François Bailleul.Ethnopharmacology of Lippia alba.Journal of Ethnopharmacology, Volume 116, Issue 2, 5 March 2008, Pages 211-222

Curator

                  Record - 3 of 6   [TOP]
Compound ID2050
Compound Structure
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Plant SourceLippia alba (Miller) N. E.Brown     Common Name:
Source FamilyVerbenaceae
OriginColombia, Puerto Rico, India
Plant Part UsedLeaf, stem
ExtractEssential oil (2.5 %)
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test DoneMacrodilution method in glass tubes
Positive Control Used (conc.)Rifampin (0.50 µg/ml), Isoniazid (0.03 µg/ml)
Inhibition [%]
Activity [MIC] µg/ml64 - 128 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedGeraniol
PubChem ID   637566
Ethnomedicinal InformationDigestive troubles in general, nausea, bronchitis, sore throat, flu, cough, cold, hypertension, skin diseases, wounds, stomach ache, nervous complaints, folklore medicine of Puerto Rico
PubMed ID [Source Literature]19753839
Extract PreparationN/A
Chemical Classification [Active Compound]Aliphatic, Alkene, Terpene, Monoterpene
Media / Broth Used [Antimicrobial Assay/Test]N/A
Cytotoxicity Assay [AID]N/A
Molecular Weight154.136
Molecular FormulaC10H18O
SMILESOC/C=C(/CCC=C(C)C)C
XLogP2.524
PSA20.230
H-bond Donor1
H-bond Acceptor1
No. of Rotatable Bond Count4
No. of Rings0
No. of N0
No. of O1
No. of S0
Reference(s)1) Bueno-Sánchez JG, Martínez-Morales JR, Stashenko EE, Ribón W.Anti-tubercular activity of eleven aromatic and medicinal plants occurring in Colombia.Biomedica. 2009 Mar;29(1):51-60

2) Thierry Hennebelle, Sevser Sahpaz, Henry Joseph, François Bailleul.Ethnopharmacology of Lippia alba.Journal of Ethnopharmacology, Volume 116, Issue 2, 5 March 2008, Pages 211-222

Curator

                  Record - 4 of 6   [TOP]
Compound ID2051
Compound Structure
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Plant SourceLippia alba (Miller) N. E.Brown     Common Name:
Source FamilyVerbenaceae
OriginColombia, Puerto Rico, India
Plant Part UsedLeaf, stem
ExtractEssential oil (2.5 %)
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test DoneMacrodilution method in glass tubes
Positive Control Used (conc.)Rifampin (0.50 µg/ml), Isoniazid (0.03 µg/ml)
Inhibition [%]
Activity [MIC] µg/ml130 ± 95 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedTrans - β - Caryophyllene (5.8 %)
PubChem ID   5281515
Ethnomedicinal InformationDigestive troubles in general, nausea, bronchitis, sore throat, flu, cough, cold, hypertension, skin diseases, wounds, stomach ache, nervous complaints, folklore medicine of Puerto Rico
PubMed ID [Source Literature]19753839
Extract PreparationN/A
Chemical Classification [Active Compound]Alicyclic, Bicyclic, Terpene, Sesquiterpene
Media / Broth Used [Antimicrobial Assay/Test]N/A
Cytotoxicity Assay [AID]N/A
Molecular Weight204.188
Molecular FormulaC15H24
SMILESC1([C@H]2[C@H](C1)C(=C)CC/C=C(/CC2)C)(C)C
XLogP6.044
PSA0.000
H-bond Donor0
H-bond Acceptor0
No. of Rotatable Bond Count0
No. of Rings2
No. of N0
No. of O0
No. of S0
Reference(s)1) Bueno-Sánchez JG, Martínez-Morales JR, Stashenko EE, Ribón W.Anti-tubercular activity of eleven aromatic and medicinal plants occurring in Colombia.Biomedica. 2009 Mar;29(1):51-60

2) Thierry Hennebelle, Sevser Sahpaz, Henry Joseph, François Bailleul.Ethnopharmacology of Lippia alba.Journal of Ethnopharmacology, Volume 116, Issue 2, 5 March 2008, Pages 211-222

Curator

                  Record - 5 of 6   [TOP]
Compound ID2052
Compound Structure
DOWNLOAD:
Plant SourceLippia alba (Miller) N. E.Brown     Common Name:
Source FamilyVerbenaceae
OriginColombia, Puerto Rico, India
Plant Part UsedLeaf, stem
ExtractEssential oil (2.5 %)
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test DoneMacrodilution method in glass tubes
Positive Control Used (conc.)Rifampin (0.50 µg/ml), Isoniazid (0.03 µg/ml)
Inhibition [%]
Activity [MIC] µg/ml130 ± 95 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedGeranyl acetate (3.6 %)
PubChem ID   1549026
Ethnomedicinal InformationDigestive troubles in general, nausea, bronchitis, sore throat, flu, cough, cold, hypertension, skin diseases, wounds, stomach ache, nervous complaints, folklore medicine of Puerto Rico
PubMed ID [Source Literature]19753839
Extract PreparationN/A
Chemical Classification [Active Compound]Aliphatic, Alkene, Ester
Media / Broth Used [Antimicrobial Assay/Test]N/A
Cytotoxicity Assay [AID]N/A
Molecular Weight196.146
Molecular FormulaC12H20O2
SMILESO(C/C=C(/CCC=C(C)C)C)C(=O)C
XLogP3.264
PSA26.300
H-bond Donor0
H-bond Acceptor2
No. of Rotatable Bond Count6
No. of Rings0
No. of N0
No. of O2
No. of S0
Reference(s)1) Bueno-Sánchez JG, Martínez-Morales JR, Stashenko EE, Ribón W.Anti-tubercular activity of eleven aromatic and medicinal plants occurring in Colombia.Biomedica. 2009 Mar;29(1):51-60

2) Thierry Hennebelle, Sevser Sahpaz, Henry Joseph, François Bailleul.Ethnopharmacology of Lippia alba.Journal of Ethnopharmacology, Volume 116, Issue 2, 5 March 2008, Pages 211-222

Curator

                  Record - 6 of 6   [TOP]
Compound ID2053
Compound Structure
DOWNLOAD:
Plant SourceLippia alba (Miller) N. E.Brown     Common Name:
Source FamilyVerbenaceae
OriginColombia, Puerto Rico, India
Plant Part UsedLeaf, stem
ExtractEssential oil (2.5 %)
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test DoneMacrodilution method in glass tubes
Positive Control Used (conc.)Rifampin (0.50 µg/ml), Isoniazid (0.03 µg/ml)
Inhibition [%]
Activity [MIC] µg/ml200 ± 72 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedLimonene (30.2 %)
PubChem ID   22311
Ethnomedicinal InformationDigestive troubles in general, nausea, bronchitis, sore throat, flu, cough, cold, hypertension, skin diseases, wounds, stomach ache, nervous complaints, folklore medicine of Puerto Rico
PubMed ID [Source Literature]19753839
Extract PreparationN/A
Chemical Classification [Active Compound]Alicyclic, Terpene, Monoterpene
Media / Broth Used [Antimicrobial Assay/Test]N/A
Cytotoxicity Assay [AID]N/A
Molecular Weight136.125
Molecular FormulaC10H16
SMILESC1(CCC(=CC1)C)C(=C)C
XLogP3.729
PSA0.000
H-bond Donor0
H-bond Acceptor0
No. of Rotatable Bond Count1
No. of Rings1
No. of N0
No. of O0
No. of S0
Reference(s)1) Bueno-Sánchez JG, Martínez-Morales JR, Stashenko EE, Ribón W.Anti-tubercular activity of eleven aromatic and medicinal plants occurring in Colombia.Biomedica. 2009 Mar;29(1):51-60

2) Thierry Hennebelle, Sevser Sahpaz, Henry Joseph, François Bailleul.Ethnopharmacology of Lippia alba.Journal of Ethnopharmacology, Volume 116, Issue 2, 5 March 2008, Pages 211-222

Curator


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