BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 4 Record - 1 of 88 [TOP]

Compound ID

2048

Compound Structure

Plant Source

Lippia alba (Miller) N. E.Brown Common Name:

Source Family

Verbenaceae

Origin

Colombia, Puerto Rico, India

Plant Part Used

Leaf, stem

Extract

Essential oil (2.5 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Rifampin (0.50 µg/ml), Isoniazid (0.03 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

130 ± 95 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Geranial

PubChem ID

638011

Ethnomedicinal Information

Digestive 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 Preparation

N/A

Chemical Classification [Active Compound]

Aliphatic, Alkene, Terpene, Monoterpene, Aldehyde

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

152.120

Molecular Formula

C₁₀H₁₆O

SMILES

O=C/C=C(/CCC=C(C)C)C

XLogP

2.701

PSA

17.070

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

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 88 [TOP]

Compound ID

2049

Compound Structure

Plant Source

Lippia alba (Miller) N. E.Brown Common Name:

Source Family

Verbenaceae

Origin

Colombia, Puerto Rico, India

Plant Part Used

Leaf, stem

Extract

Essential oil (2.5 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Rifampin (0.50 µg/ml), Isoniazid (0.03 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

130 ± 95 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Neral

PubChem ID

643779

Ethnomedicinal Information

Digestive 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 Preparation

N/A

Chemical Classification [Active Compound]

Aliphatic, Alkene, Aldehyde

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

152.120

Molecular Formula

C₁₀H₁₆O

SMILES

O=C/C=C(CCC=C(C)C)/C

XLogP

2.701

PSA

17.070

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 3 of 88 [TOP]

Compound ID

2050

Compound Structure

Plant Source

Lippia alba (Miller) N. E.Brown Common Name:

Source Family

Verbenaceae

Origin

Colombia, Puerto Rico, India

Plant Part Used

Leaf, stem

Extract

Essential oil (2.5 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Rifampin (0.50 µg/ml), Isoniazid (0.03 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

64 - 128 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Geraniol

PubChem ID

637566

Ethnomedicinal Information

Digestive 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 Preparation

N/A

Chemical Classification [Active Compound]

Aliphatic, Alkene, Terpene, Monoterpene

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

154.136

Molecular Formula

C₁₀H₁₈O

SMILES

OC/C=C(/CCC=C(C)C)C

XLogP

2.524

PSA

20.230

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 4 of 88 [TOP]

Compound ID

2051

Compound Structure

Plant Source

Lippia alba (Miller) N. E.Brown Common Name:

Source Family

Verbenaceae

Origin

Colombia, Puerto Rico, India

Plant Part Used

Leaf, stem

Extract

Essential oil (2.5 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Rifampin (0.50 µg/ml), Isoniazid (0.03 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

130 ± 95 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Trans - β - Caryophyllene (5.8 %)

PubChem ID

5281515

Ethnomedicinal Information

Digestive 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 Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Sesquiterpene

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

204.188

Molecular Formula

C₁₅H₂₄

SMILES

C1([C@H]2[C@H](C1)C(=C)CC/C=C(/CC2)C)(C)C

XLogP

6.044

PSA

0.000

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 5 of 88 [TOP]

Compound ID

2052

Compound Structure

Plant Source

Lippia alba (Miller) N. E.Brown Common Name:

Source Family

Verbenaceae

Origin

Colombia, Puerto Rico, India

Plant Part Used

Leaf, stem

Extract

Essential oil (2.5 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Rifampin (0.50 µg/ml), Isoniazid (0.03 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

130 ± 95 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Geranyl acetate (3.6 %)

PubChem ID

1549026

Ethnomedicinal Information

Digestive 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 Preparation

N/A

Chemical Classification [Active Compound]

Aliphatic, Alkene, Ester

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

196.146

Molecular Formula

C₁₂H₂₀O₂

SMILES

O(C/C=C(/CCC=C(C)C)C)C(=O)C

XLogP

3.264

PSA

26.300

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 6 of 88 [TOP]

Compound ID

2053

Compound Structure

Plant Source

Lippia alba (Miller) N. E.Brown Common Name:

Source Family

Verbenaceae

Origin

Colombia, Puerto Rico, India

Plant Part Used

Leaf, stem

Extract

Essential oil (2.5 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Rifampin (0.50 µg/ml), Isoniazid (0.03 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

200 ± 72 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Limonene (30.2 %)

PubChem ID

22311

Ethnomedicinal Information

Digestive 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 Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Terpene, Monoterpene

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

136.125

Molecular Formula

C₁₀H₁₆

SMILES

C1(CCC(=CC1)C)C(=C)C

XLogP

3.729

PSA

0.000

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 7 of 88 [TOP]

Compound ID

2054

Compound Structure

Plant Source

Lippia alba (Miller) N. E.Brown Common Name:

Source Family

Verbenaceae

Origin

Colombia, Puerto Rico, India

Plant Part Used

Leaf, stem

Extract

Essential oil (1.6 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Rifampin (0.50 µg/ml), Isoniazid (0.03 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

130 ± 95 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

6 - Methyl - 5 - hepten - 2 - one (2.1 %)

PubChem ID

9862

Ethnomedicinal Information

Digestive 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 Preparation

N/A

Chemical Classification [Active Compound]

Aliphatic, Alkene, Ketone

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

126.104

Molecular Formula

C₈H₁₄O

SMILES

O=C(CCC=C(C)C)C

XLogP

1.796

PSA

17.070

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 8 of 88 [TOP]

Compound ID

2055

Compound Structure

Plant Source

Lippia alba (Miller) N. E.Brown Common Name:

Source Family

Verbenaceae

Origin

Colombia, Puerto Rico, India

Plant Part Used

Leaf, stem

Extract

Essential oil (1.6 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Rifampin (0.50 µg/ml), Isoniazid (0.03 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

130 ± 95 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Cis - Verbenol (1.9 %)

PubChem ID

87839

Ethnomedicinal Information

Digestive 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 Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Monoterpene, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

152.120

Molecular Formula

C₁₀H₁₆O

SMILES

O[C@@H]1[C@@H]2C([C@@H](C2)C(=C1)C)(C)C

XLogP

2.147

PSA

20.230

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 9 of 88 [TOP]

Compound ID

2056

Compound Structure

Plant Source

Lippia alba (Miller) N. E.Brown Common Name:

Source Family

Verbenaceae

Origin

Colombia, Puerto Rico, India

Plant Part Used

Leaf, stem

Extract

Essential oil (1.6 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Rifampin (0.50 µg/ml), Isoniazid (0.03 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

130 ± 95 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Trans - Verbenol (1.5 %)

PubChem ID

89664

Ethnomedicinal Information

Digestive 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 Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Monoterpene, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

152.120

Molecular Formula

C₁₀H₁₆O

SMILES

O[C@@H]1[C@H]2C([C@H](C2)C(=C1)C)(C)C

XLogP

2.147

PSA

20.230

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 10 of 88 [TOP]

Compound ID

2057

Compound Structure

Plant Source

Lippia alba (Miller) N. E.Brown Common Name:

Source Family

Verbenaceae

Origin

Colombia, Puerto Rico, India

Plant Part Used

Leaf, stem

Extract

Essential oil (1.6 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Rifampin (0.50 µg/ml), Isoniazid (0.03 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

130 ± 95 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

α - Humulene (1.4 %)

PubChem ID

5281520

Ethnomedicinal Information

Digestive 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 Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Terpene, Sesquiterpene

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

204.188

Molecular Formula

C₁₅H₂₄

SMILES

C1(C/C=C(/CC/C=C(/C/C=C/1)C)C)(C)C

XLogP

5.940

PSA

0.000

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 11 of 88 [TOP]

Compound ID	2058
Compound Structure
Plant Source	Lippia alba (Miller) N. E.Brown Common Name:
Source Family	Verbenaceae
Origin	Colombia, Puerto Rico, India
Plant Part Used	Stem
Extract	Ethanol (95 %)
Target Bacteria	Mycobacterium tuberculosis
Assay / Test Done	Radiorespirometric Bioassay
Positive Control Used (conc.)	Rifampin (1 µg/ml)
Inhibition [%]	19 %
Activity [MIC] µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Digestive 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]	11746852
Extract Preparation	N/A
Chemical Classification [Active Compound]	N/A
Media / Broth Used [Antimicrobial Assay/Test]	N/A
Cytotoxicity Assay [AID]	N/A
Reference(s)	1) Antoun MD, Ramos Z, Vazques J, Oquendo I, Proctor GR, Gerena L, Franzblau SG.Evaluation of the flora of Puerto Rico for in vitro antiplasmodial and antimycobacterial activities.Phytother Res. 2001 Nov;15(7):638-42
Curator

Record - 12 of 88 [TOP]

Compound ID	2059
Compound Structure
Plant Source	Lippia alba (Miller) N. E.Brown Common Name:
Source Family	Verbenaceae
Origin	Colombia, Puerto Rico, India
Plant Part Used	Leaf
Extract	Ethanol (95 %)
Target Bacteria	Mycobacterium tuberculosis
Assay / Test Done	Radiorespirometric Bioassay
Positive Control Used (conc.)	Rifampin (1)
Inhibition [%]	82 %
Activity [MIC] µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Digestive 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]	11746852
Extract Preparation	N/A
Chemical Classification [Active Compound]	N/A
Media / Broth Used [Antimicrobial Assay/Test]	N/A
Cytotoxicity Assay [AID]	N/A
Reference(s)	1) Antoun MD, Ramos Z, Vazques J, Oquendo I, Proctor GR, Gerena L, Franzblau SG.Evaluation of the flora of Puerto Rico for in vitro antiplasmodial and antimycobacterial activities.Phytother Res. 2001 Nov;15(7):638-42
Curator

Record - 13 of 88 [TOP]

Compound ID

2351

Compound Structure

Plant Source

Piper auritum Common Name:Eared Pepper, False Kava (Hawaii), False Kava - Kava, Hierba Santa, Hoja Santa

Source Family

Piperaceae

Origin

Colombia

Plant Part Used

Leaf

Extract

Essential oil (2.3 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Rifampin (0.50 µg/ml), Isoniazid (0.03 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

400 ± 220 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Safrol

PubChem ID

5144

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

19753839

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Alkene, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

162.068

Molecular Formula

C₁₀H₁₀O₂

SMILES

O1c2c(OC1)ccc(c2)CC=C

XLogP

2.930

PSA

18.460

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

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

Curator

Record - 14 of 88 [TOP]

Compound ID

2352

Compound Structure

Plant Source

Piper auritum Common Name:Eared Pepper, False Kava (Hawaii), False Kava - Kava, Hierba Santa, Hoja Santa

Source Family

Piperaceae

Origin

Colombia

Plant Part Used

Leaf

Extract

Essential oil (2.3 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Rifampin (0.50 µg/ml), Isoniazid (0.03 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

400 ± 220 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Methyl eugenol

PubChem ID

7127

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

19753839

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Phenylpropanoid, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

178.099

Molecular Formula

C₁₁H₁₄O₂

SMILES

O(c1cc(CC=C)ccc1OC)C

XLogP

3.003

PSA

18.460

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

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

Curator

Record - 15 of 88 [TOP]

Compound ID

2353

Compound Structure

Plant Source

Piper auritum Common Name:Eared Pepper, False Kava (Hawaii), False Kava - Kava, Hierba Santa, Hoja Santa

Source Family

Piperaceae

Origin

Colombia

Plant Part Used

Leaf

Extract

Essential oil (2.3 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Rifampin (0.50 µg/ml), Isoniazid (0.03 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

400 ± 220 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

α - Terpinolene

PubChem ID

11463

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

19753839

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Terpene, Monoterpene

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

136.125

Molecular Formula

C₁₀H₁₆

SMILES

C1C(=C(C)C)CC=C(C1)C

XLogP

3.326

PSA

0.000

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

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

Curator

Record - 16 of 88 [TOP]

Compound ID

2354

Compound Structure

Plant Source

Piper auritum Common Name:Eared Pepper, False Kava (Hawaii), False Kava - Kava, Hierba Santa, Hoja Santa

Source Family

Piperaceae

Origin

Colombia

Plant Part Used

Leaf

Extract

Essential oil (2.3 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Rifampin (0.50 µg/ml), Isoniazid (0.03 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

400 ± 220 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

γ - Terpinene

PubChem ID

7461

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

19753839

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Terpene, Monoterpene

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

136.125

Molecular Formula

C₁₀H₁₆

SMILES

C(C1=CCC(=CC1)C)(C)C

XLogP

3.852

PSA

0.000

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

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

Curator

Record - 17 of 88 [TOP]

Compound ID

2355

Compound Structure

Plant Source

Piper auritum Common Name:Eared Pepper, False Kava (Hawaii), False Kava - Kava, Hierba Santa, Hoja Santa

Source Family

Piperaceae

Origin

Colombia

Plant Part Used

Leaf

Extract

Essential oil (2.3 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Rifampin (0.50 µg/ml), Isoniazid (0.03 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

400 ± 220 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

P - Cymene (0.2 %)

PubChem ID

7463

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

19753839

Extract Preparation

The essential oils were extracted from a 300 g sample of plant leaves and stems by microwave - assisted hydrodistillation (30 min, 250 ml water), using a Clevenger - type distillation apparatus and a Dean - Stark distillation trap in a domestic microwave oven. Sodium sulfate was added as a drying agent to the decanted essential oil

Chemical Classification [Active Compound]

Aromatic, Alkyl

Media / Broth Used [Antimicrobial Assay/Test]

Lowestein - Jensenn medium, Middlebrook 7H9 medium [The later was supplemented with 10 % OADC (Oleic Acid - Albumin - Dextrose - Catalase) and 0.001 % Tween 80]

Cytotoxicity Assay [AID]

N/A

Molecular Weight

134.110

Molecular Formula

C₁₀H₁₄

SMILES

C(c1ccc(cc1)C)(C)C

XLogP

5.785

PSA

0.000

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

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

Curator

Record - 18 of 88 [TOP]

Compound ID

2356

Compound Structure

Plant Source

Piper auritum Common Name:Eared Pepper, False Kava (Hawaii), False Kava - Kava, Hierba Santa, Hoja Santa

Source Family

Piperaceae

Origin

Colombia

Plant Part Used

Leaf

Extract

Essential oil (2.3 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Rifampin (0.50 µg/ml), Isoniazid (0.03 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

400 ± 220 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Trans - β - Caryophyllene

PubChem ID

5281515

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

19753839

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Sesquiterpene

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

204.188

Molecular Formula

C₁₅H₂₄

SMILES

C1([C@H]2[C@H](C1)C(=C)CC/C=C(/CC2)C)(C)C

XLogP

6.044

PSA

0.000

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

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

Curator

Record - 19 of 88 [TOP]

Compound ID

2357

Compound Structure

Plant Source

Piper auritum Common Name:Eared Pepper, False Kava (Hawaii), False Kava - Kava, Hierba Santa, Hoja Santa

Source Family

Piperaceae

Origin

Colombia

Plant Part Used

Leaf

Extract

Essential oil (2.3 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Rifampin (0.50 µg/ml), Isoniazid (0.03 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

400 ± 220 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Eugenol

PubChem ID

3314

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

19753839

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Alkene, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

164.084

Molecular Formula

C₁₀H₁₂O₂

SMILES

O(c1cc(CC=C)ccc1O)C

XLogP

2.484

PSA

29.460

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

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

Curator

Record - 20 of 88 [TOP]

Compound ID

2358

Compound Structure

Plant Source

Piper auritum Common Name:Eared Pepper, False Kava (Hawaii), False Kava - Kava, Hierba Santa, Hoja Santa

Source Family

Piperaceae

Origin

Colombia

Plant Part Used

Leaf

Extract

Essential oil (2.3 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Rifampin (0.50 µg/ml), Isoniazid (0.03 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

400 ± 220 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Elemicin

PubChem ID

10248

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

19753839

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Alkene, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

208.110

Molecular Formula

C₁₂H₁₆O₃

SMILES

O(c1c(OC)cc(CC=C)cc1OC)C

XLogP

2.559

PSA

27.690

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

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

Curator

Record - 21 of 88 [TOP]

Compound ID

2359

Compound Structure

Plant Source

Piper auritum Common Name:Eared Pepper, False Kava (Hawaii), False Kava - Kava, Hierba Santa, Hoja Santa

Source Family

Piperaceae

Origin

Colombia

Plant Part Used

Leaf

Extract

Essential oil (2.3 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Rifampin (0.50 µg/ml), Isoniazid (0.03 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

400 ± 220 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Spathulenol

PubChem ID

522266

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

19753839

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Sesquiterpene, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

220.183

Molecular Formula

C₁₅H₂₄O

SMILES

OC1(C2C3C(C3CCC(=C)C2CC1)(C)C)C

XLogP

4.157

PSA

20.230

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

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

Curator

Record - 22 of 88 [TOP]

Compound ID

2362

Compound Structure

Plant Source

Piper bogotense Common Name:

Source Family

Piperaceae

Origin

Colombia

Plant Part Used

Leaf

Extract

Essential oil (0.2 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Rifampin (0.50 µg/ml), Isoniazid (0.03 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

130 ± 95 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Sesquisabinene hydrate

PubChem ID

6428435

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

19753839

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Sesquiterpene, Alcohol, Prenylated

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

222.198

Molecular Formula

C₁₅H₂₆O

SMILES

O[C@]1(C2[C@](C2)(CC1)C(CCC=C(C)C)C)C

XLogP

4.683

PSA

20.230

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

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

Curator

Record - 23 of 88 [TOP]

Compound ID

2363

Compound Structure

Plant Source

Piper bogotense Common Name:

Source Family

Piperaceae

Origin

Colombia

Plant Part Used

Leaf

Extract

Essential oil (0.2 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Rifampin (0.50 µg/ml), Isoniazid (0.03 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

130 ± 95 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

α - Phellandrene

PubChem ID

7460

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

19753839

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Terpene, Monoterpene

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

136.125

Molecular Formula

C₁₀H₁₆

SMILES

C1(C(C)C)CC=C(C=C1)C

XLogP

4.427

PSA

0.000

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

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

Curator

Record - 24 of 88 [TOP]

Compound ID

2364

Compound Structure

Plant Source

Piper bogotense Common Name:

Source Family

Piperaceae

Origin

Colombia

Plant Part Used

Leaf

Extract

Essential oil (0.2 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Rifampin (0.50 µg/ml), Isoniazid (0.03 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

130 ± 95 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

α - Pinene (8.7 %)

PubChem ID

6654

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

19753839

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Monoterpene

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

136.125

Molecular Formula

C₁₀H₁₆

SMILES

C1(C2CC1C(=CC2)C)(C)C

XLogP

4.177

PSA

0.000

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

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

Curator

Record - 25 of 88 [TOP]

Compound ID

2365

Compound Structure

Plant Source

Piper bogotense Common Name:

Source Family

Piperaceae

Origin

Colombia

Plant Part Used

Leaf

Extract

Essential oil (0.2 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Rifampin (0.50 µg/ml), Isoniazid (0.03 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

130 ± 95 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Limonene (5.3 %)

PubChem ID

22311

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

19753839

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Terpene, Monoterpene

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

136.125

Molecular Formula

C₁₀H₁₆

SMILES

C1(CCC(=CC1)C)C(=C)C

XLogP

3.729

PSA

0.000

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

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

Curator

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