BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 2 Record - 1 of 40 [TOP]

Compound ID

2033

Compound Structure

Plant Source

Leucas volkensii Gurke Common Name:

Source Family

Labiatae

Origin

Kenya

Plant Part Used

Aerial

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

64 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Geraniol

PubChem ID

637566

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

9491760

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)

1) Rajab MS, Cantrell CL, Franzblau SG, Fischer NH.Antimycobacterial activity of (E)-phytol and derivatives: a preliminary structure-activity study.Planta Med. 1998 Feb;64(1):2-4

Curator

Record - 2 of 40 [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 - 3 of 40 [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 40 [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 - 5 of 40 [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 - 6 of 40 [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 - 7 of 40 [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 - 8 of 40 [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 - 9 of 40 [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 - 10 of 40 [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 - 11 of 40 [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

Record - 12 of 40 [TOP]

Compound ID

2366

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

Linalool (4.7 %)

PubChem ID

6549

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

19753839

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aliphatic, Alkene, Terpene, Monoterpene, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

154.136

Molecular Formula

C₁₀H₁₈O

SMILES

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

XLogP

2.468

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 - 13 of 40 [TOP]

Compound ID

2368

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

β - Phellandrene

PubChem ID

11142

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)CCC(=C)C=C1

XLogP

4.472

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 - 14 of 40 [TOP]

Compound ID

3959

Compound Structure

Plant Source

Swinglea glutinosa Common Name:Tabog, Glutinous Swinglea

Source Family

Rutaceae

Origin

Colombia

Plant Part Used

Fruit peel

Extract

Essential oil (0.7 %)

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

100 ± 36 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

α - Terpineol

PubChem ID

17100

Ethnomedicinal Information

Skin affliction, tuberculosis

PubMed ID [Source Literature]

19753839

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Terpene, Monoterpene, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

154.136

Molecular Formula

C₁₀H₁₈O

SMILES

OC(C1CCC(=CC1)C)(C)C

XLogP

2.369

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 - 15 of 40 [TOP]

Compound ID

2658

Compound Structure

Plant Source

Swinglea glutinosa Common Name:

Source Family

Rutaceae

Origin

Colombia

Plant Part Used

Fruit peel

Extract

Essential oil (0.7 %)

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

100 ± 36 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

β - Pinene

PubChem ID

14896

Ethnomedicinal Information

Skin affliction, 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(=C)CC2)(C)C

XLogP

4.222

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 40 [TOP]

Compound ID

2659

Compound Structure

Plant Source

Swinglea glutinosa Common Name:

Source Family

Rutaceae

Origin

Colombia

Plant Part Used

Fruit peel

Extract

Essential oil (0.7 %)

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

100 ± 36 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

α - Pinene (12 %)

PubChem ID

6654

Ethnomedicinal Information

Skin affliction, 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 - 17 of 40 [TOP]

Compound ID

2660

Compound Structure

Plant Source

Swinglea glutinosa Common Name:

Source Family

Rutaceae

Origin

Colombia

Plant Part Used

Fruit peel

Extract

Essential oil (0.7 %)

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

100 ± 36 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Sabinene

PubChem ID

18818

Ethnomedicinal Information

Skin affliction, 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

C12(C(C1)C(=C)CC2)C(C)C

XLogP

4.222

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 40 [TOP]

Compound ID

2662

Compound Structure

Plant Source

Swinglea glutinosa Common Name:

Source Family

Rutaceae

Origin

Colombia

Plant Part Used

Fruit peel

Extract

Essential oil (0.7 %)

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

100 ± 36 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Limonene (4.4 %)

PubChem ID

22311

Ethnomedicinal Information

Skin affliction, 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

Record - 19 of 40 [TOP]

Compound ID

2663

Compound Structure

Plant Source

Swinglea glutinosa Common Name:

Source Family

Rutaceae

Origin

Colombia

Plant Part Used

Fruit peel

Extract

Essential oil (0.7 %)

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

100 ± 36 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

1, 8 - Cineol

PubChem ID

2758

Ethnomedicinal Information

Skin affliction, tuberculosis

PubMed ID [Source Literature]

19753839

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Monoterpene, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

154.136

Molecular Formula

C₁₀H₁₈O

SMILES

O1C2(CCC(C1(C)C)CC2)C

XLogP

2.595

PSA

9.230

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 - 20 of 40 [TOP]

Compound ID

2075

Compound Structure

Plant Source

Lippia origanoides Common Name:Wild Marjoram

Source Family

Verbenaceae

Origin

USA

Plant Part Used

Leaf, stem

Extract

Essential oil (4.4 %)

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

160 ± 72 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

α - Thujene

PubChem ID

12444322

Ethnomedicinal Information

Treatment of influenza, colds and pulmonary infections

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

C12([C@@H](C1)C(=CC2)C)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-SÃ¡hez JG, MartÃz-Morales JR, Stashenko EE, RibÃ³. Anti-tubercular activity of eleven aromatic and medicinal plants occurring in Colombia. Biomedica. 2009 Mar;29(1):51-60

2) Santos, Francisco J B dos, Lopes, J Arimatia D, Cito, A M Graas L, de Oliveira, Evaldo H, Et al Composition and Biological Activity of Essential oils from Lippia origanoides H.B.K. Journal of Essential oil Research: JEOR, Sep/Oct 2004

Curator

Record - 21 of 40 [TOP]

Compound ID

3849

Compound Structure

Plant Source

Apple, Tea, Cinnamon, Cassia and other plants (not reported specifically) Common Name:NR

Source Family

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium avium subsp. paratuberculosis (bovine isolate [NCTC 8578])

Assay / Test Done

Macro - broth susceptibility testing using Bactec 460 system

Positive Control Used (conc.)

Rifampin (< 0.6 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

72.2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Carvacrol

PubChem ID

10364

Ethnomedicinal Information

PubMed ID [Source Literature]

18676709

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Terpene, Monoterpene, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9 broth

Cytotoxicity Assay [AID]

Molecular Weight

150.104

Molecular Formula

C₁₀H₁₄O

SMILES

Oc1cc(C(C)C)ccc1C

XLogP

3.556

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) Wong SY, Grant IR, Friedman M, Elliott CT, Situ C.Antibacterial activities of naturally occurring compounds against Mycobacterium avium subsp. paratuberculosis.Appl Environ Microbiol. 2008 Oct;74(19):5986-90. Epub 2008 Aug 1

Curator

KeyaMukherjee, Farzana Shamsudeen

Record - 22 of 40 [TOP]

Compound ID

3850

Compound Structure

Plant Source

Apple, Tea, Cinnamon, Cassia and other plants (not reported specifically) Common Name:NR

Source Family

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium avium subsp. paratuberculosis (human isolate [ATCC 43015])

Assay / Test Done

Macro - broth susceptibility testing using Bactec 460 system

Positive Control Used (conc.)

Rifampin (< 0.6 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

72.2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Carvacrol

PubChem ID

10364

Ethnomedicinal Information

PubMed ID [Source Literature]

18676709

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Terpene, Monoterpene, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9 broth

Cytotoxicity Assay [AID]

Molecular Weight

150.104

Molecular Formula

C₁₀H₁₄O

SMILES

Oc1cc(C(C)C)ccc1C

XLogP

3.556

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

KeyaMukherjee, Farzana Shamsudeen

Record - 23 of 40 [TOP]

Compound ID

3851

Compound Structure

Plant Source

Apple, Tea, Cinnamon, Cassia and other plants (not reported specifically) Common Name:NR

Source Family

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium avium subsp. paratuberculosis (raw - milk isolate [806R])

Assay / Test Done

Macro - broth susceptibility testing using Bactec 460 system

Positive Control Used (conc.)

Rifampin (< 0.6 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

72.2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Carvacrol

PubChem ID

10364

Ethnomedicinal Information

PubMed ID [Source Literature]

18676709

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Terpene, Monoterpene, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9 broth

Cytotoxicity Assay [AID]

Molecular Weight

150.104

Molecular Formula

C₁₀H₁₄O

SMILES

Oc1cc(C(C)C)ccc1C

XLogP

3.556

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

KeyaMukherjee, Farzana Shamsudeen

Record - 24 of 40 [TOP]

Compound ID

3862

Compound Structure

Plant Source

Achyrocline alata Common Name:NR

Source Family

Asteraceae (Compositae)

Origin

Colombia

Plant Part Used

Leaf, stem

Extract

Essential oil (0.3 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Isoniazid (0.19 ± 0.07 µg/ml), Rifampin (0.3 ± 0.21 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

62.5 ± 0.01 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Thymol (24.0 %)

PubChem ID

6989

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, Terpene, Monoterpene, Phenol

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]

Molecular Weight

150.104

Molecular Formula

C₁₀H₁₄O

SMILES

Oc1c(C(C)C)ccc(c1)C

XLogP

3.556

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

KeyaMukherjee, Farzana Shamsudeen

Record - 25 of 40 [TOP]

Compound ID

3865

Compound Structure

Plant Source

Achyrocline alata Common Name:NR

Source Family

Asteraceae (Compositae)

Origin

Colombia

Plant Part Used

Leaf, stem

Extract

Essential oil (0.3 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Isoniazid (0.19 ± 0.07 µg/ml), Rifampin (0.3 ± 0.21 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

62.5 ± 0.01 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

α - Pinene (2.6%)

PubChem ID

6654

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

19753839

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Monoterpene

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]

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

KeyaMukherjee, Farzana Shamsudeen

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