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 9 [TOP]

Compound ID

1400

Compound Structure

Plant Source

Celaenodendron mexicanum Common Name:

Source Family

Euphorbiaceae

Origin

Mexico

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.06 µg/ml), Ethambutol (2 µg/ml), Rifampin (0.06 µg/ml), Streptomycin (0.50 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

3α - Hydroxy - 7, 24Z - dien - tirucalla - 26 - oic acid

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Terpene, Nortriterpene, Acid, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

456.360

Molecular Formula

C₃₀H₄₈O₃

SMILES

C1C[C@@H](C(C2[C@]1([C@H]1C(=CC2)[C@@]2(C(CC1)(C(CC2)C(C)CC/C=C(/C)C(=O)O)C)C)C)(C)C)O

XLogP

9.500

PSA

57.530

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) María del Rayo Camacho-Corona, Juan Manuel de Jesús Favela-Hernández, Omar González-Santiago, Elvira Garza-González, Gloria María Molina-Salinas, Salvador Said-Fernández, Guillermo Delgado, Julieta Luna-Herrerae.Evaluation of Some Plant-derived Secondary Metabolites Against Sensitive and Multidrug-resistant Mycobacterium tuberculosis.J. Mex. Chem. Soc. 2009, 53(2), 71-75

Curator

Record - 2 of 9 [TOP]

Compound ID

1401

Compound Structure

Plant Source

Celaenodendron mexicanum Common Name:

Source Family

Euphorbiaceae

Origin

Mexico

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.06 µg/ml), Ethambutol (2 µg/ml), Rifampin (0.06 µg/ml), Streptomycin (0.50 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

3 - Oxo - 7, 24Z - Dien - Tirucalla - 26 - Oic Acid

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Terpene, Nortriterpene, ketone, Acid

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

454.345

Molecular Formula

C₃₀H₄₆O₃

SMILES

C1CC(=O)C(C2[C@]1([C@H]1C(=CC2)[C@@]2(C(CC1)(C(CC2)C(C)CC/C=C(/C)C(=O)O)C)C)C)(C)C

XLogP

8.893

PSA

54.370

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 9 [TOP]

Compound ID

1402

Compound Structure

Plant Source

Celaenodendron mexicanum Common Name:

Source Family

Euphorbiaceae

Origin

Mexico

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis (345)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (3.125 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

3α - Hydroxy - 7, 24Z - Dien - Tirucalla - 26 - Oic Acid

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Terpene, Nortriterpene, Acid, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

456.360

Molecular Formula

C₃₀H₄₈O₃

SMILES

C1C[C@@H](C(C2[C@]1([C@H]1C(=CC2)[C@@]2(C(CC1)(C(CC2)C(C)CC/C=C(/C)C(=O)O)C)C)C)(C)C)O

XLogP

9.500

PSA

57.530

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)

Curator

Record - 4 of 9 [TOP]

Compound ID

1403

Compound Structure

Plant Source

Celaenodendron mexicanum Common Name:

Source Family

Euphorbiaceae

Origin

Mexico

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis (345)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (3.125 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin(< 50 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

3 - Oxo - 7, 24Z - Dien - Tirucalla - 26 - Oic Acid

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Terpene, Nortriterpene, ketone, Acid

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

454.345

Molecular Formula

C₃₀H₄₆O₃

SMILES

C1CC(=O)C(C2[C@]1([C@H]1C(=CC2)[C@@]2(C(CC1)(C(CC2)C(C)CC/C=C(/C)C(=O)O)C)C)C)(C)C

XLogP

8.893

PSA

54.370

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 9 [TOP]

Compound ID

1404

Compound Structure

Plant Source

Celaenodendron mexicanum Common Name:

Source Family

Euphorbiaceae

Origin

Mexico

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis (M12)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (12.50 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

3α - Hydroxy - 7, 24Z - Dien - Tirucalla - 26 - Oic Acid

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Terpene, Nortriterpene, Acid, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

456.360

Molecular Formula

C₃₀H₄₈O₃

SMILES

C1C[C@@H](C(C2[C@]1([C@H]1C(=CC2)[C@@]2(C(CC1)(C(CC2)C(C)CC/C=C(/C)C(=O)O)C)C)C)(C)C)O

XLogP

9.500

PSA

57.530

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)

Curator

Record - 6 of 9 [TOP]

Compound ID

1405

Compound Structure

Plant Source

Celaenodendron mexicanum Common Name:

Source Family

Euphorbiaceae

Origin

Mexico

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis (M12)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (12.50 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

3 - Oxo - 7, 24Z - Dien - Tirucalla - 26 - Oic Acid

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Terpene, Nortriterpene, ketone, Acid

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

454.345

Molecular Formula

C₃₀H₄₆O₃

SMILES

C1CC(=O)C(C2[C@]1([C@H]1C(=CC2)[C@@]2(C(CC1)(C(CC2)C(C)CC/C=C(/C)C(=O)O)C)C)C)(C)C

XLogP

8.893

PSA

54.370

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 9 [TOP]

Compound ID

1406

Compound Structure

Plant Source

Celaenodendron mexicanum Common Name:

Source Family

Euphorbiaceae

Origin

Mexico

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis (M20)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (25 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

3α - Hydroxy - 7, 24Z - Dien - Tirucalla - 26 - Oic Acid

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Terpene, Nortriterpene, Acid, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

456.360

Molecular Formula

C₃₀H₄₈O₃

SMILES

C1C[C@@H](C(C2[C@]1([C@H]1C(=CC2)[C@@]2(C(CC1)(C(CC2)C(C)CC/C=C(/C)C(=O)O)C)C)C)(C)C)O

XLogP

9.500

PSA

57.530

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)

Curator

Record - 8 of 9 [TOP]

Compound ID

1407

Compound Structure

Plant Source

Celaenodendron mexicanum Common Name:

Source Family

Euphorbiaceae

Origin

Mexico

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis (M20)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (25 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

3 - Oxo - 7, 24Z - Dien - Tirucalla - 26 - Oic Acid

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Terpene, Nortriterpene, ketone, Acid

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

454.345

Molecular Formula

C₃₀H₄₆O₃

SMILES

C1CC(=O)C(C2[C@]1([C@H]1C(=CC2)[C@@]2(C(CC1)(C(CC2)C(C)CC/C=C(/C)C(=O)O)C)C)C)(C)C

XLogP

8.893

PSA

54.370

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 9 [TOP]

Compound ID

3665

Compound Structure

Plant Source

Chrysanthemum morifolium RAMAT. Common Name:Chrysanthemum

Source Family

Asteraceae (Compositae)

Origin

Asia and Northeastern Europe

Plant Part Used

Flower

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis H37Rv (ATCC 27 294)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.25 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 64 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Δ⁷ - Tirucallo

PubChem ID

472760

Ethnomedicinal Information

Anti - inflammatory, analgesic, antipyretic

PubMed ID [Source Literature]

15635183

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Terpene, Nortriterpene, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H12 medium

Cytotoxicity Assay [AID]

Against Vero cells (ATCCCCL- 81) in the CellTiter 96 aqueous nonradioactive cell proliferation assay

Molecular Weight

426.386

Molecular Formula

C₃₀H₅₀O

SMILES

O[C@@H]1C([C@H]2[C@@](C3C(=CC2)[C@@]2([C@](C(CC2)[C@H](CCC=C(C)C)C)(CC3)C)C)(CC1)C)(C)C

XLogP

10.955

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) Akihisa T, Franzblau SG, Ukiya M, Okuda H, Zhang F, Yasukawa K, Suzuki T, Kimura Y.Antitubercular activity of triterpenoids from Asteraceae flowers.Biol Pharm Bull. 2005 Jan;28(1):158-60

Curator

Vikramjitmandal

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)