BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 4 Record - 1 of 85 [TOP]

Compound ID

1218

Compound Structure

Plant Source

Artocarpus lakoocha Roxb.Artocarpus lacucha Buch.-Ham Common Name:Monkey Jack (English), Lakuch, Kshudra Panas, Granthiphala, Pitanaasha (Sanskrit)

Source Family

Moraceae

Origin

India

Plant Part Used

Root

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.040 – 0.090 µg/ml) and Kanamycin sulphate (2 – 5 µg/ml))

Inhibition [%]

Activity [MIC] µg/ml

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Lakoochin A

PubChem ID

3012524

Ethnomedicinal Information

Leprosy, used as folkmedicine for other diseases

PubMed ID [Source Literature]

15043440

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Stilbene, Furanoid, Phenol, Prenylated, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

Against KB and BC - 1 cell lines

Molecular Weight

406.214

Molecular Formula

C₂₆H₃₀O₄

SMILES

O1c(c2c(CC=C(C)C)c(OC)cc(OC)c2CC=C(C)C)cc2c1cc(O)cc2

XLogP

5.873

PSA

51.830

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) Puntumchai A, Kittakoop P, Rajviroongit S, Vimuttipong S, Likhitwitayawuid K, Thebtaranonth Y.Lakoochins A and B, new antimycobacterial stilbene derivatives from Artocarpus lakoocha.J Nat Prod. 2004 Mar;67(3):485-6

2) Pushpangadan P, Atal CK.Ethno-medico-botanical investigations in Kerala I. Some primitive tribals of western ghats and their herbal medicine.J Ethnopharmacol. 1984 Jun;11(1):59-77

Curator

Record - 2 of 85 [TOP]

Compound ID

1219

Compound Structure

Plant Source

Artocarpus lakoocha Roxb.Artocarpus lacucha Buch.-Ham Common Name:Monkey Jack (English), Lakuch, Kshudra Panas, Granthiphala, Pitanaasha (Sanskrit)

Source Family

Moraceae

Origin

India

Plant Part Used

Root

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.040 – 0.090 µg/ml) and Kanamycin sulphate (2 – 5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Lakoochin B

PubChem ID

6479925

Ethnomedicinal Information

Leprosy, used as folkmedicine for other diseases

PubMed ID [Source Literature]

15043440

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Stilbene, Furanoid, Phenol, Prenylated

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

Against KB and BC - 1 cell lines

Molecular Weight

446.246

Molecular Formula

C₂₉H₃₄O₄

SMILES

O1c(c2c(C/C=C(/CCC=C(C)C)C)c(O)cc(O)c2CC=C(C)C)cc2c1cc(O)cc2

XLogP

6.657

PSA

73.830

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)

Curator

Record - 3 of 85 [TOP]

Compound ID

1244

Compound Structure

Plant Source

Bauhinia saccocalyx Common Name:

Source Family

Fabaceae

Origin

Thailand

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Bauhinoxepins B

PubChem ID

3009552

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Oxapin, Prenylated, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

Against Vero, human epidermoid carcinoma in the mouth (KB) and human breast cancer cells (BC)

Molecular Weight

338.152

Molecular Formula

C₂₁H₂₂O₄

SMILES

O1c2c(c(O)c(CC=C(C)C)cc2)C=Cc2c1c(OC)c(c(O)c2)C

XLogP

3.996

PSA

58.920

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) Prasat Kittakoop, Sombat Nopichai, Nuntawan Thongon, Panarat Charoenchai, Yodhathai Thebtaranonth.Bauhinoxepins A and B: New Antimycobacterial Dibenzo[b,f]oxepins from Bauhinia saccocalyx.Helvetica Chimica Acta, Volume 87, Issue 1, pages 175–179, January 2004

Curator

Record - 4 of 85 [TOP]

Compound ID

1282

Compound Structure

Plant Source

Borrichia frutescens L. Common Name:Sea Daisy

Source Family

Asteraceae (Compositae)

Origin

USA

Plant Part Used

Flower, leaf, stem

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Positive Control Used (conc.)

Fusidic acid (4 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

(23R)-3-Oxolanosta-8,24-dien-23-Ol

PubChem ID

469546

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

8988597

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Ketone, Prenylated

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

Against Vero cells

Molecular Weight

440.365

Molecular Formula

C₃₀H₄₈O₂

SMILES

O=C1C([C@H]2[C@@](C3=C([C@]4([C@@]([C@H](CC4)[C@@H](C[C@@H](O)C=C(C)C)C)(CC3)C)C)CC2)(CC1)C)(C)C

XLogP

7.784

PSA

37.300

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) Cantrell CL, Lu T, Fronczek FR, Fischer NH, Adams LB, Franzblau SG.Antimycobacterial cycloartanes from Borrichia frutescens.J Nat Prod. 1996 Dec;59(12):1131-6

Curator

Record - 5 of 85 [TOP]

Compound ID

1724

Compound Structure

Plant Source

Eysenhardtia platycarpa Common Name:

Source Family

Fabaceae

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

5, 7 - Dihydroxy - 8 - Prenyl - Flavanone

PubChem ID

3144815

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Flavonoid, Phenol, Prenylated

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

324.136

Molecular Formula

C₂₀H₂₀O₄

SMILES

O1C(CC(=O)c2c1c(CC=C(C)C)c(O)cc2O)c1ccccc1

XLogP

3.963

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) 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 - 6 of 85 [TOP]

Compound ID

1725

Compound Structure

Plant Source

Eysenhardtia platycarpa Common Name:

Source Family

Fabaceae

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

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

5, 7 - Dihydroxy - 6 - Methyl - 8 - Prenyl - Flavanone

PubChem ID

14188388

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Flavonoid, Phenol, Prenylated

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

338.152

Molecular Formula

C₂₁H₂₂O₄

SMILES

O1C(CC(=O)c2c1c(c(O)c(c2O)C)CC=C(C)C)c1ccccc1

XLogP

4.075

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)

Curator

Record - 7 of 85 [TOP]

Compound ID

1726

Compound Structure

Plant Source

Eysenhardtia platycarpa Common Name:

Source Family

Fabaceae

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

5, 7 - Dihydroxy - 8 - Prenyl - Flavanone

PubChem ID

3144815

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Flavonoid, Phenol, Prenylated

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

324.136

Molecular Formula

C₂₀H₂₀O₄

SMILES

O1C(CC(=O)c2c1c(CC=C(C)C)c(O)cc2O)c1ccccc1

XLogP

3.963

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)

Curator

Record - 8 of 85 [TOP]

Compound ID

1727

Compound Structure

Plant Source

Eysenhardtia platycarpa Common Name:

Source Family

Fabaceae

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

5, 7 - Dihydroxy - 6 - Methyl - 8 - Prenyl - Flavanone

PubChem ID

14188388

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Flavonoid, Phenol, Prenylated

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

338.152

Molecular Formula

C₂₁H₂₂O₄

SMILES

O1C(CC(=O)c2c1c(c(O)c(c2O)C)CC=C(C)C)c1ccccc1

XLogP

4.075

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)

Curator

Record - 9 of 85 [TOP]

Compound ID

1728

Compound Structure

Plant Source

Eysenhardtia platycarpa Common Name:

Source Family

Fabaceae

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

5, 7 - Dihydroxy - 8 - Prenyl - Flavanone

PubChem ID

3144815

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Flavonoid, Phenol, Prenylated

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

324.136

Molecular Formula

C₂₀H₂₀O₄

SMILES

O1C(CC(=O)c2c1c(CC=C(C)C)c(O)cc2O)c1ccccc1

XLogP

3.963

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)

Curator

Record - 10 of 85 [TOP]

Compound ID

1729

Compound Structure

Plant Source

Eysenhardtia platycarpa Common Name:

Source Family

Fabaceae

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

5, 7 - Dihydroxy - 6 - Methyl - 8 - Prenyl - Flavanone

PubChem ID

14188388

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Flavonoid, Phenol, Prenylated

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

338.152

Molecular Formula

C₂₁H₂₂O₄

SMILES

O1C(CC(=O)c2c1c(c(O)c(c2O)C)CC=C(C)C)c1ccccc1

XLogP

4.075

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)

Curator

Record - 11 of 85 [TOP]

Compound ID

1730

Compound Structure

Plant Source

Eysenhardtia platycarpa Common Name:

Source Family

Fabaceae

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

5, 7 - Dihydroxy - 8 - Prenyl - Flavanone

PubChem ID

3144815

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Flavonoid, Phenol, Prenylated

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

324.136

Molecular Formula

C₂₀H₂₀O₄

SMILES

O1C(CC(=O)c2c1c(CC=C(C)C)c(O)cc2O)c1ccccc1

XLogP

3.963

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)

Curator

Record - 12 of 85 [TOP]

Compound ID

1731

Compound Structure

Plant Source

Eysenhardtia platycarpa Common Name:

Source Family

Fabaceae

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

5, 7 - Dihydroxy - 6 - Methyl - 8 - Prenyl - Flavanone

PubChem ID

14188388

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Flavonoid, Phenol, Prenylated

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

338.152

Molecular Formula

C₂₁H₂₂O₄

SMILES

O1C(CC(=O)c2c1c(c(O)c(c2O)C)CC=C(C)C)c1ccccc1

XLogP

4.075

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)

Curator

Record - 13 of 85 [TOP]

Compound ID

1738

Compound Structure

Plant Source

Ferula communis Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Saudi Arabia

Plant Part Used

Rhizome

Extract

Target Bacteria

Mycobacterium intracellulare

Assay / Test Done

Positive Control Used (conc.)

Amikacin (0.25 µg/ml), Streptomycin (10 µg/ml), Isoniazid (10 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

1.25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ferulenol

PubChem ID

54679300

Ethnomedicinal Information

Anti-mycobacterial

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

366.219

Molecular Formula

C₂₄H₃₀O₃

SMILES

O1c2c(c(O)c(C/C=C(/CC/C=C(/CCC=C(C)C)C)C)c1=O)cccc2

XLogP

8.182

PSA

37.300

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) Mohammed A. Al-Yahya, Ilias Muhammad, Humayun H. Mirza, Farouk S. El-Feraly.Antibacterial constituents from the rhizomes of Ferula communis.Phytotherapy Research.12/1998;12(5):335-339

2) http://www.pfaf.org/user/Plant.aspx?LatinName=Ferula+communis

Curator

Record - 14 of 85 [TOP]

Compound ID

1739

Compound Structure

Plant Source

Ferula communis Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Saudi Arabia

Plant Part Used

Rhizome

Extract

Target Bacteria

Mycobacterium intracellulare

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ferchromone

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Terpene, Sesquiterpene, Chromone, Prenylated, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

384.230

Molecular Formula

C₂₄H₃₂O₄

SMILES

C1c2c(ccc1)OC1C(C2=O)CC([C@@](O1)(CC/C=C(/CCC=C(C)C)C)C)O

XLogP

5.430

PSA

55.760

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)

Curator

Record - 15 of 85 [TOP]

Compound ID

2204

Compound Structure

Plant Source

Morinda citrifolia L. Common Name:Indian Mulberry (English), Ashyuka, Akshi, Atchy (Sanskrit)

Source Family

Rubiaceae

Origin

Indo - Pacific region

Plant Part Used

Leaf

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Broth dilution assay using BACTEC system

Positive Control Used (conc.)

Rifampin (0.125 µg/ml)

Inhibition [%]

Crude ethanol extract - 89 % and hexane fraction - 95 %

Activity [MIC] µg/ml

> 64 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Cycloartenol

PubChem ID

17750995

Ethnomedicinal Information

Asthma, joint pains, immune problems, pain relief, cellular regeneration, tuberculosis, respiratory disorders

PubMed ID [Source Literature]

12410555

Extract Preparation

Dried leaves were extracted with ethanol to give a green, syrupy extract which was further partitioned into hexane DCM , EtOAc and n - BuOH fractions

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Cycloartane, Prenylated, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Bactec 12B broth

Cytotoxicity Assay [AID]

N/A

Molecular Weight

426.386

Molecular Formula

C₃₀H₅₀O

SMILES

O[C@@H]1C([C@H]2[C@@]3([C@]4(C3)[C@H]([C@]3([C@](CC4)([C@H](CC3)[C@@H](CCC=C(C)C)C)C)C)CC2)CC1)(C)C

XLogP

11.921

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) Saludes JP, Garson MJ, Franzblau SG, Aguinaldo AM.Antitubercular constituents from the hexane fraction of Morinda citrifolia Linn. (Rubiaceae).Phytother Res. 2002 Nov;16(7):683-5

2) http://www.motherherbs.com/morinda-citrifolia.html

Curator

Record - 16 of 85 [TOP]

Compound ID

2317

Compound Structure

Plant Source

Peucedanum ostruthium Koch Common Name:Masterwort

Source Family

Apiaceae (Umbelliferae)

Origin

China

Plant Part Used

Root

Extract

Target Bacteria

Mycobacterium aurum (PI 104 482)

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

1 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ostruthin

PubChem ID

5281420

Ethnomedicinal Information

Has folkloric reputation for the topical treatment of athletes foot

PubMed ID [Source Literature]

12709907

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Coumarin, Prenylated, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

298.157

Molecular Formula

C₁₉H₂₂O₃

SMILES

O1c2c(cc(C/C=C(/CCC=C(C)C)C)c(O)c2)ccc1=O

XLogP

5.348

PSA

37.300

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) Schinkovitz A, Gibbons S, Stavri M, Cocksedge MJ, Bucar F.Ostruthin: an antimycobacterial coumarin from the Roots of Peucedanum ostruthium. Planta Med. 2003 Apr;69(4):369-7

Curator

Record - 17 of 85 [TOP]

Compound ID

2318

Compound Structure

Plant Source

Peucedanum ostruthium Koch Common Name:Masterwort

Source Family

Apiaceae (Umbelliferae)

Origin

China

Plant Part Used

Root

Extract

Target Bacteria

Mycobacterium fortuitum (ATCC 6841)

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ostruthin

PubChem ID

5281420

Ethnomedicinal Information

Has folkloric reputation for the topical treatment of athletes foot

PubMed ID [Source Literature]

12709907

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Coumarin, Prenylated, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

298.157

Molecular Formula

C₁₉H₂₂O₃

SMILES

O1c2c(cc(C/C=C(/CCC=C(C)C)C)c(O)c2)ccc1=O

XLogP

5.348

PSA

37.300

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) Schinkovitz A, Gibbons S, Stavri M, Cocksedge MJ, Bucar F.Ostruthin: an antimycobacterial coumarin from the Roots of Peucedanum ostruthium. Planta Med. 2003 Apr;69(4):369-7

Curator

Record - 18 of 85 [TOP]

Compound ID

2319

Compound Structure

Plant Source

Peucedanum ostruthium Koch Common Name:Masterwort

Source Family

Apiaceae (Umbelliferae)

Origin

China

Plant Part Used

Root

Extract

Target Bacteria

Mycobacterium phlei (ATCC 11 758)

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ostruthin

PubChem ID

5281420

Ethnomedicinal Information

Has folkloric reputation for the topical treatment of athletes foot

PubMed ID [Source Literature]

12709907

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Coumarin, Prenylated, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

298.157

Molecular Formula

C₁₉H₂₂O₃

SMILES

O1c2c(cc(C/C=C(/CCC=C(C)C)C)c(O)c2)ccc1=O

XLogP

5.348

PSA

37.300

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) Schinkovitz A, Gibbons S, Stavri M, Cocksedge MJ, Bucar F.Ostruthin: an antimycobacterial coumarin from the Roots of Peucedanum ostruthium. Planta Med. 2003 Apr;69(4):369-7

Curator

Record - 19 of 85 [TOP]

Compound ID

2320

Compound Structure

Plant Source

Peucedanum ostruthium Koch Common Name:Masterwort

Source Family

Apiaceae (Umbelliferae)

Origin

China

Plant Part Used

Root

Extract

Target Bacteria

Mycobacterium smegmatis (ATCC 14468)

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ostruthin

PubChem ID

5281420

Ethnomedicinal Information

Has folkloric reputation for the topical treatment of athletes foot

PubMed ID [Source Literature]

12709907

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Coumarin, Prenylated, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

298.157

Molecular Formula

C₁₉H₂₂O₃

SMILES

O1c2c(cc(C/C=C(/CCC=C(C)C)C)c(O)c2)ccc1=O

XLogP

5.348

PSA

37.300

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) Schinkovitz A, Gibbons S, Stavri M, Cocksedge MJ, Bucar F.Ostruthin: an antimycobacterial coumarin from the Roots of Peucedanum ostruthium. Planta Med. 2003 Apr;69(4):369-7

Curator

Record - 20 of 85 [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 - 21 of 85 [TOP]

Compound ID

2370

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 - Bisabolol

PubChem ID

10586

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

19753839

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Terpene, Sesquiterpene, Prenylated, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

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

Record - 22 of 85 [TOP]

Compound ID

1799

Compound Structure

Plant Source

Garcinia mangostana Common Name:Mangosteen

Source Family

Clusiaceae

Origin

Thailand, Malaysia

Plant Part Used

Arils and seed

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampicin (0.003 - 0.0047 µg/ml), Isoniazid (0.025 - 0.05 µg/ml), Kanamycin sulfate (1.25 - 2.5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

9 - Hydroxycalabaxanthone

PubChem ID

Ethnomedicinal Information

Treatment of diarrhea and dysentery and for skin diseases, to lower fever and for urinary disorders

PubMed ID [Source Literature]

12843596

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Xanthanoid, Benzopyran, Prenylated, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

422.173

Molecular Formula

C₂₅H₂₆O₆

SMILES

C1(c(c(cc2c1c(=O)c1c(o2)cc2c(c1O)C=CC(O2)(C)C)O)OC)CCC=C(C)C

XLogP

3.609

PSA

85.220

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) Suksamrarn S, Suwannapoch N, Phakhodee W, Thanuhiranlert J, Ratananukul P, Chimnoi N, Suksamrarn A.Antimycobacterial activity of prenylated xanthones from the fruits of Garcinia mangostana.Chem Pharm Bull (Tokyo). 2003 Jul;51(7):857-9

2) http://www.montosogardens.com/garcinia_mangostana.htm

Curator

Record - 23 of 85 [TOP]

Compound ID

3973

Compound Structure

Plant Source

Rudbeckia laciniata Common Name:Thimbleweed

Source Family

Asteraceae (Compositae)

Origin

Eastern North America

Plant Part Used

Extract

Target Bacteria

Mycobacterium avium

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

2,10-bisaboladiene- 1,4-endoperoxide

PubChem ID

10082849

Ethnomedicinal Information

PubMed ID [Source Literature]

16243360

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Terpene, Sesquiterpene, Peroxy, Prenylated

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

236.178

Molecular Formula

C₁₅H₂₄O₂

SMILES

O1O[C@@H]2C[C@@H](C(CCC=C(C)C)C)[C@@H]1C=C2C

XLogP

4.400

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) Pauli GF, Case RJ, Inui T, Wang Y, Cho S, Fischer NH, Franzblau SG.New perspectives on natural products in TB drug research.Life Sci. 2005 Dec 22;78(5):485-94

Curator

Record - 24 of 85 [TOP]

Compound ID

3048

Compound Structure

Plant Source

Peucedanum osthruthin Koch Common Name:

Source Family

Apiaceae (Umbelliferae)

Origin

Plant Part Used

Root

Extract

Dichloromethane

Target Bacteria

Mycobacterium abscessus (ATCC 19 977)

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

32 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ostruthin

PubChem ID

5281420

Ethnomedicinal Information

PubMed ID [Source Literature]

12709907

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Coumarin, Prenylated, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

298.157

Molecular Formula

C₁₉H₂₂O₃

SMILES

O1c2c(cc(C/C=C(/CCC=C(C)C)C)c(O)c2)ccc1=O

XLogP

5.348

PSA

37.300

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) Schinkovitz A, Gibbons S, Stavri M, Cocksedge MJ, Bucar F.Ostruthin: an antimycobacterial coumarin from the Roots of Peucedanum ostruthium. Planta Med. 2003 Apr;69(4):369-7

Curator

Record - 25 of 85 [TOP]

Compound ID

3074

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium aurum (Pasteur Institute 104482)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (0.5 µg/ml), Isoniazid (2 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ferulenol

PubChem ID

54679300

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

366.219

Molecular Formula

C₂₄H₃₀O₃

SMILES

O1c2c(c(O)c(C/C=C(/CC/C=C(/CCC=C(C)C)C)C)c1=O)cccc2

XLogP

8.182

PSA

37.300

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) Appendino G, Mercalli E, Fuzzati N, Arnoldi L, Stavri M, Gibbons S, Ballero M, Maxia A.Antimycobacterial coumarins from the sardinian giant fennel (Ferula communis).J Nat Prod. 2004 Dec;67(12):2108-10

Curator

Vsheeba, vikramjitmandal

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