BioPhytMol: A database of Phytomolecules against Mycobacteria

| Home |

Simple Search

Query Builder

Structure Search

Browse |

Similarity

One to One

One to Many

Data Visualization |

Submission |

Page - 1 of 1 Record - 1 of 20 [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 - 2 of 20 [TOP]

Compound ID

3863

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

Trans - β - Caryophyllene (13.3 %)

PubChem ID

5354499

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

19753839

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Sesquiterpene

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

204.188

Molecular Formula

C₁₅H₂₄

SMILES

C1(C2C(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

KeyaMukherjee, Farzana Shamsudeen

Record - 3 of 20 [TOP]

Compound ID

3864

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

P - Cymene (3.2 %)

PubChem ID

7463

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

19753839

Extract Preparation

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]

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

KeyaMukherjee, Farzana Shamsudeen

Record - 4 of 20 [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

Record - 5 of 20 [TOP]

Compound ID

3866

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 - Humulene (2.4%)

PubChem ID

5281520

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

19753839

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Terpene, Sesquiterpene

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

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)

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 - 6 of 20 [TOP]

Compound ID

3867

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

Thymyl acetate (2.3 %)

PubChem ID

68252

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

19753839

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Terpene, Monoterpene, O-Acetyl

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

192.115

Molecular Formula

C₁₂H₁₆O₂

SMILES

O(c1c(C(C)C)ccc(c1)C)C(=O)C

XLogP

4.296

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)

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 - 7 of 20 [TOP]

Compound ID

3868

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

Viridiflorene (2.3 %)

PubChem ID

10910653

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

19753839

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Sesquiterpene

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

204.188

Molecular Formula

C₁₅H₂₄

SMILES

[C@@H]12C([C@@H]1CCC(=C1[C@H]2[C@@H](CC1)C)C)(C)C

XLogP

5.948

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

Record - 8 of 20 [TOP]

Compound ID

3869

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

Caryophyllene oxide (2.2 %)

PubChem ID

14350

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

19753839

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Sesquiterpene, Epoxy

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

220.183

Molecular Formula

C₁₅H₂₄O

SMILES

O1C2(C1CCC(=C)C1C(C(C1)(C)C)CC2)C

XLogP

4.607

PSA

12.530

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 - 9 of 20 [TOP]

Compound ID

3870

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 - Bisabolol (1.7 %)

PubChem ID

10586

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

19753839

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Terpene, Sesquiterpene, Prenylated, Alcohol

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

222.198

Molecular Formula

C₁₅H₂₆O

SMILES

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

XLogP

4.085

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 - 10 of 20 [TOP]

Compound ID

3871

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 - Eudesmol (1.6 %)

PubChem ID

92762

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

19753839

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Sesquiterpene, Alcohol

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

222.198

Molecular Formula

C₁₅H₂₆O

SMILES

OC([C@H]1C[C@@H]2[C@@](CC1)(CCC=C2C)C)(C)C

XLogP

4.785

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 - 11 of 20 [TOP]

Compound ID

3882

Compound Structure

Plant Source

Hyptis mutabilis Common Name:Tropical Bushmint

Source Family

Lamiaceae

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

125 ± 0.01 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Fenchone (17.1 %)

PubChem ID

14525

Ethnomedicinal Information

PubMed ID [Source Literature]

19753839

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Monoterpene, Ketone

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

152.120

Molecular Formula

C₁₀H₁₆O

SMILES

O=C1C2(CC(C1(C)C)CC2)C

XLogP

1.507

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

Curator

KeyaMukherjee, Farzana Shamsudeen

Record - 12 of 20 [TOP]

Compound ID

3883

Compound Structure

Plant Source

Hyptis mutabilis Common Name:Tropical Bushmint

Source Family

Lamiaceae

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

125 ± 0.01 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

1, 8 - Cineol (12.6 %)

PubChem ID

2758

Ethnomedicinal Information

PubMed ID [Source Literature]

19753839

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Monoterpene, Ether

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

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

KeyaMukherjee, Farzana Shamsudeen

Record - 13 of 20 [TOP]

Compound ID

3884

Compound Structure

Plant Source

Hyptis mutabilis Common Name:Tropical Bushmint

Source Family

Lamiaceae

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

125 ± 0.01 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Bicyclogermacrene (8.7 %)

PubChem ID

5315347

Ethnomedicinal Information

PubMed ID [Source Literature]

19753839

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Sesquiterpene

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

204.188

Molecular Formula

C₁₅H₂₄

SMILES

C1(C2C1/C=C(/CC/C=C(/CC2)C)C)(C)C

XLogP

5.999

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

Record - 14 of 20 [TOP]

Compound ID

3885

Compound Structure

Plant Source

Hyptis mutabilis Common Name:Tropical Bushmint

Source Family

Lamiaceae

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

125 ± 0.01 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Germacrene D (6.2 %)

PubChem ID

5373727

Ethnomedicinal Information

PubMed ID [Source Literature]

19753839

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Terpene, Sesquiterpene

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

204.188

Molecular Formula

C₁₅H₂₄

SMILES

C1(C(C)C)CC/C(=CCCC(=C)/C=C1)/C

XLogP

6.294

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

Record - 15 of 20 [TOP]

Compound ID

3886

Compound Structure

Plant Source

Hyptis mutabilis Common Name:Tropical Bushmint

Source Family

Lamiaceae

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

125 ± 0.01 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Limonene (4.8 %)

PubChem ID

22311

Ethnomedicinal Information

PubMed ID [Source Literature]

19753839

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, 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(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

KeyaMukherjee, Farzana Shamsudeen

Record - 16 of 20 [TOP]

Compound ID

3887

Compound Structure

Plant Source

Hyptis mutabilis Common Name:Tropical Bushmint

Source Family

Lamiaceae

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

125 ± 0.01 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

α - Pinene (3.8 %)

PubChem ID

6654

Ethnomedicinal Information

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

Record - 17 of 20 [TOP]

Compound ID

3888

Compound Structure

Plant Source

Hyptis mutabilis Common Name:Tropical Bushmint

Source Family

Lamiaceae

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

125 ± 0.01 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

β - Pinene (3.7 %)

PubChem ID

14896

Ethnomedicinal Information

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(=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

KeyaMukherjee, Farzana Shamsudeen

Record - 18 of 20 [TOP]

Compound ID

3889

Compound Structure

Plant Source

Hyptis mutabilis Common Name:Tropical Bushmint

Source Family

Lamiaceae

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

125 ± 0.01 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

β - Boubonene (3.4 %)

PubChem ID

62566

Ethnomedicinal Information

PubMed ID [Source Literature]

19753839

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Diterpene

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

204.188

Molecular Formula

C₁₅H₂₄

SMILES

[C@]12([C@@H]([C@@H]3[C@H]1CCC3=C)[C@@H](CC2)C(C)C)C

XLogP

6.544

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

Record - 19 of 20 [TOP]

Compound ID

3890

Compound Structure

Plant Source

Hyptis mutabilis Common Name:Tropical Bushmint

Source Family

Lamiaceae

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

125 ± 0.01 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Spathulenol (3.0 %)

PubChem ID

522266

Ethnomedicinal Information

PubMed ID [Source Literature]

19753839

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Sesquiterpene, Alcohol

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

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

KeyaMukherjee, Farzana Shamsudeen

Record - 20 of 20 [TOP]

Compound ID

3891

Compound Structure

Plant Source

Hyptis mutabilis Common Name:Tropical Bushmint

Source Family

Lamiaceae

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

125 ± 0.01 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Trans - β - Caryophyllene (10.9 %)

PubChem ID

5281515

Ethnomedicinal Information

PubMed ID [Source Literature]

19753839

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Sesquiterpene

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

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

KeyaMukherjee, Farzana Shamsudeen

Developed by: CSIR- OSDD Unit, Delhi, India and Hosted by: Bioinformatics Centre, Institute of Microbial Technology, Sec-39A, Chandigarh, India.
The website has been tested on the latest version of Google Chrome (34.0.1847.137 m) and Mozilla Firefox (29.0.1)