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 11 [TOP]

Compound ID	1284
Compound Structure
Plant Source	Borrichia frutescens L. Common Name:Sea Daisy
Source Family	Asteraceae (Compositae)
Origin	USA
Plant Part Used	Flower
Extract	Dichloromethane
Target Bacteria	Mycobacterium avium
Assay / Test Done
Positive Control Used (conc.)	Rifampin, Clarithromycin
Inhibition [%]	99 %
Activity [MIC] µg/ml	1000 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Tuberculosis
PubMed ID [Source Literature]	23195767
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) C.L. Cantrell, N.H. Fischer, L. Urbatsch, M.S. McGuire, S.G. Franzblau.Antimycobacterial crude plant extracts from South, Central, and North America.Phytomedicine, Volume 5, Issue 2, April 1998, Pages 137–145
Curator

Record - 2 of 11 [TOP]

Compound ID

1428

Compound Structure

Plant Source

Chamaedora tepejilote Common Name:Pacaya Palm

Source Family

Arecaceae (Palmae)

Origin

Mexico

Plant Part Used

Leaf

Extract

Hexane

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Radiorespirometric BACTEC Assay

Positive Control Used (conc.)

Inhibition [%]

99 %

Activity [MIC] µg/ml

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ursolic acid

PubChem ID

64945

Ethnomedicinal Information

Cough, Pneumonia

PubMed ID [Source Literature]

16041726

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Acid, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

456.360

Molecular Formula

C₃₀H₄₈O₃

SMILES

O[C@@H]1C([C@H]2[C@@]([C@@H]3[C@]([C@]4(C(=CC3)[C@H]3[C@@](CC4)(CC[C@H]([C@@H]3C)C)C(=O)O)C)(CC2)C)(CC1)C)(C)C

XLogP

8.954

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) Jiménez A, Meckes M, Alvarez V, Torres J, Parra R. Secondary metabolites from Chamaedora tepejilote (Palmae) are active against Mycobacterium tuberculosis.Phytother Res. 2005 Apr;19(4):320-2

Curator

Record - 3 of 11 [TOP]

Compound ID

1429

Compound Structure

Plant Source

Chamaedora tepejilote Common Name:Pacaya Palm

Source Family

Arecaceae (Palmae)

Origin

Mexico

Plant Part Used

Leaf

Extract

Hexane

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Radiorespirometric BACTEC Assay

Positive Control Used (conc.)

Inhibition [%]

99 %

Activity [MIC] µg/ml

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Squalene

PubChem ID

638072

Ethnomedicinal Information

Cough, Pneumonia

PubMed ID [Source Literature]

16041726

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aliphatic, Alkene, Terpene, Triterpene

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

410.391

Molecular Formula

C₃₀H₅₀

SMILES

C(C/C=C(/CCC=C(C)C)C)/C(=C/CC/C=C(/CC/C=C(/CCC=C(C)C)C)C)/C

XLogP

11.482

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) Jiménez A, Meckes M, Alvarez V, Torres J, Parra R. Secondary metabolites from Chamaedora tepejilote (Palmae) are active against Mycobacterium tuberculosis.Phytother Res. 2005 Apr;19(4):320-2

Curator

Record - 4 of 11 [TOP]

Compound ID

1430

Compound Structure

Plant Source

Chamaedora tepejilote Common Name:Pacaya Palm

Source Family

Arecaceae (Palmae)

Origin

Mexico

Plant Part Used

Leaf

Extract

Hexane

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Radiorespirometric BACTEC Assay

Positive Control Used (conc.)

Inhibition [%]

99 %

Activity [MIC] µg/ml

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Farnesol

PubChem ID

445070

Ethnomedicinal Information

Cough, Pneumonia

PubMed ID [Source Literature]

16041726

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aliphatic, Alkene, Terpene, Sesquiterpene, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

222.198

Molecular Formula

C₁₅H₂₆O

SMILES

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

XLogP

4.346

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) Jiménez A, Meckes M, Alvarez V, Torres J, Parra R. Secondary metabolites from Chamaedora tepejilote (Palmae) are active against Mycobacterium tuberculosis.Phytother Res. 2005 Apr;19(4):320-2

Curator

Record - 5 of 11 [TOP]

Compound ID	2106
Compound Structure
Plant Source	Magnolia grandiflora L. Common Name:Bull Bay, Great Laurel Magnolia, Southern Magnolia (English), Him - Champaa (Sanskrit)
Source Family	Magnoliaceae
Origin	India, USA
Plant Part Used	Flower
Extract	Dichloromethane
Target Bacteria	Mycobacterium tuberculosis
Assay / Test Done	Radiorespirometric Bioassay
Positive Control Used (conc.)	Rifampin (2 µg/ml), Clarithromycin (32 µg/ml)
Inhibition [%]	99 %
Activity [MIC] µg/ml	100 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Stimulant, diaphoretic, tonic, malaria, rheumatism, random screening, Other u - methylene - g - lactone - bearing sesquiterpene lactones are moderately active against MT with MICs of 64,
PubMed ID [Source Literature]	23195767
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) C.L. Cantrell, N.H. Fischer, L. Urbatsch, M.S. McGuire, S.G. Franzblau.Antimycobacterial crude plant extracts from South, Central, and North America.Phytomedicine, Volume 5, Issue 2 , Pages 137-145, April 1998
Curator

Record - 6 of 11 [TOP]

Compound ID	2511
Compound Structure	N/A
Plant Source	Rudbeckia submentosa Common Name:
Source Family	Asteraceae (Compositae)
Origin	USA
Plant Part Used	Root
Extract	Dichloromethane
Target Bacteria	Mycobacterium tuberculosis
Assay / Test Done
Positive Control Used (conc.)	Rifampin
Inhibition [%]	99 %
Activity [MIC] µg/ml	100 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified	N/A
PubChem ID	NR
Ethnomedicinal Information	Tuberculosis
PubMed ID [Source Literature]	10364842
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) Cantrell CL, Abate L, Fronczek FR, Franzblau SG, Quijano L, Fischer NH.Antimycobacterial eudesmanolides from Inula helenium and Rudbeckia subtomentosa.Planta Med. 1999 May;65(4):351-5
Curator

Record - 7 of 11 [TOP]

Compound ID

2588

Compound Structure

Plant Source

Senna obliqua (G.Don) I. & B. Common Name:

Source Family

Fabaceae

Origin

Peru

Plant Part Used

Fruit, stem

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis (ATCC 27294)

Assay / Test Done

BACTEC 460 (Becton Dickinson Diagnostic Instrument Systems, Sparks MD) radiometric assay

Positive Control Used (conc.)

Rifampin (2 µg/ml), Ethambutol (7.5 µg/ml)

Inhibition [%]

99 %

Activity [MIC] µg/ml

12 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Quinquangulin

PubChem ID

3008110

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

14987063

Extract Preparation

The air-dried stem and fruits of S. obliqua (1.6 kg) were combined, milled, and extracted with MeOH (3 × 6.5 L). The successive extracts were concentrated in vacuo to give a residue (430 g), which was submitted to solvent partitioning between CHCl₃ and H₂O to afford a CHCl₃-soluble (33.3 g) and a H₂O-soluble fraction (397.5 g)

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Napthopyrone, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

286.084

Molecular Formula

C₁₆H₁₄O₅

SMILES

O1c2c(c(O)c3c(c(c(OC)cc3O)C)c2)c(=O)cc1C

XLogP

0.676

PSA

66.760

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) Graham JG, Zhang H, Pendland SL, Santarsiero BD, Mesecar AD, Cabieses F, Farnsworth NR.Antimycobacterial Naphthopyrones from Senna obliqua.J Nat Prod. 2004 Feb;67(2):225-7

Curator

Record - 8 of 11 [TOP]

Compound ID

2589

Compound Structure

Plant Source

Senna obliqua (G.Don) I. & B. Common Name:

Source Family

Fabaceae

Origin

Peru

Plant Part Used

Fruit, stem

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis (ATCC 27294)

Assay / Test Done

BACTEC 460 (Becton Dickinson Diagnostic Instrument Systems, Sparks MD) radiometric assay

Positive Control Used (conc.)

Rifampin (2 µg/ml), Ethambutol (7.5 µg/ml)

Inhibition [%]

99 %

Activity [MIC] µg/ml

12 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Rubrofusarin

PubChem ID

72537

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

14987063

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Napthopyrone, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

272.068

Molecular Formula

C₁₅H₁₂O₅

SMILES

O1c2c(c(O)c3c(c2)cc(OC)cc3O)c(=O)cc1C

XLogP

0.564

PSA

66.760

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) Graham JG, Zhang H, Pendland SL, Santarsiero BD, Mesecar AD, Cabieses F, Farnsworth NR.Antimycobacterial Naphthopyrones from Senna obliqua.J Nat Prod. 2004 Feb;67(2):225-7

Curator

Record - 9 of 11 [TOP]

Compound ID

3399

Compound Structure

Plant Source

Melia volkensii Gurke Common Name:

Source Family

Meliaceae

Origin

Voi, Kenya

Plant Part Used

Seed

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis H37Rv (ATCC 27 294)

Assay / Test Done

Radiorespirometric BACTEC Assay

Positive Control Used (conc.)

Inhibition [%]

99 %

Activity [MIC] µg/ml

16 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

12 β - Hydroxykulactone

PubChem ID

6476656

Ethnomedicinal Information

PubMed ID [Source Literature]

10217705

Extract Preparation

Crushed seeds (1 kg) were allowed to stand in 2 l of MeOH for 1 week

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Steroid, Lactone, Ketone, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

468.324

Molecular Formula

C₃₀H₄₄O₄

SMILES

O1[C@@H]2[C@H]([C@]3([C@@](C4=CC[C@@H]5[C@@](C4C[C@H]3O)(CCC(=O)C5(C)C)C)(C2)C)C)[C@H](C1=O)C/C=C/C(C)C

XLogP

5.668

PSA

63.600

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) Cantrell CL, Rajab MS, Franzblau SG, Fischer NH.Antimycobacterial triterpenes from Melia volkensii.J Nat Prod. 1999 Apr;62(4):546-8

Curator

Vikramjitmandal

Record - 10 of 11 [TOP]

Compound ID

3400

Compound Structure

Plant Source

Melia volkensii Gurke Common Name:

Source Family

Meliaceae

Origin

Voi, Kenya

Plant Part Used

Seed

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis H37Rv (ATCC 27 294)

Assay / Test Done

Radiorespirometric BACTEC Assay

Positive Control Used (conc.)

Inhibition [%]

99 %

Activity [MIC] µg/ml

16 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Kulonate

PubChem ID

490539

Ethnomedicinal Information

Used in folk medicine to alleviate pain - tea prepared from bark

PubMed ID [Source Literature]

10217705

Extract Preparation

Crushed seeds (1 kg) were allowed to stand in 2 l of MeOH for 1 week

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Ester, Ketone, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

526.366

Molecular Formula

C₃₃H₅₀O₅

SMILES

O1[C@@H]2[C@H]([C@]3([C@](C2)(C2=CC[C@@H]4[C@@](C2CC3)(CCC(=O)C4(C)C)C)C)C)[C@@H]([C@H]1O)[C@@H](CCC=C(C)C)C(=O)OC

XLogP

6.712

PSA

72.830

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) Cantrell CL, Rajab MS, Franzblau SG, Fischer NH.Antimycobacterial triterpenes from Melia volkensii.J Nat Prod. 1999 Apr;62(4):546-8

Curator

Vikramjitmandal

Record - 11 of 11 [TOP]

Compound ID

3401

Compound Structure

Plant Source

Melia volkensii Gurke Common Name:

Source Family

Meliaceae

Origin

Voi, Kenya

Plant Part Used

Seed

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis H37Rv (ATCC 27 294)

Assay / Test Done

Radiorespirometric BACTEC Assay

Positive Control Used (conc.)

Inhibition [%]

99 %

Activity [MIC] µg/ml

4 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

6β - Hydroxykulactone

PubChem ID

6476657

Ethnomedicinal Information

PubMed ID [Source Literature]

10217705

Extract Preparation

Crushed seeds (1 kg) were allowed to stand in 2 l of MeOH for 1 week

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Steroid, Lactone, Ketone

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

468.324

Molecular Formula

C₃₀H₄₄O₄

SMILES

O1[C@@H]2[C@H]([C@]3([C@@](C4=C[C@@H](O)[C@@H]5[C@@](C4CC3)(CCC(=O)C5(C)C)C)(C2)C)C)[C@H](C1=O)C/C=C/C(C)C

XLogP

5.934

PSA

63.600

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) Cantrell CL, Rajab MS, Franzblau SG, Fischer NH.Antimycobacterial triterpenes from Melia volkensii.J Nat Prod. 1999 Apr;62(4):546-8

Curator

Rachana, 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)