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 4 Record - 1 of 86 [TOP]

Compound ID

1084

Compound Structure

Plant Source

Ailanthus altissima (Mill.) Swingle syn. Altissima glandulsa Desf. Common Name:Tree of Heaven, Ailanto (English), Aralu (Sanskrit)

Source Family

Simaroubaceae

Origin

India, China

Plant Part Used

Mother tinture

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Rifampin (0.031 µg/ml)

Inhibition [%]

19 %

Activity [MIC] µg/ml

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Shinjulactone K

PubChem ID

460541

Ethnomedicinal Information

Used for treating mental illness, nausea and headache, treating cardiac palpitation, asthma and epilepsy

PubMed ID [Source Literature]

17276637

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Terpene, Triterpene, Quassinoid, Lactone, O-Acetyl, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

408.215

Molecular Formula

C₂₂H₃₂O₇

SMILES

O1[C@H]2[C@@]3([C@@H]([C@@]4([C@@H](C2)[C@@H](C[C@H](O)C4=O)C)C)[C@H](O)[C@H](OC(=O)C)[C@@H]([C@@H]3CC1=O)C)C

XLogP

1.595

PSA

110.130

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) Gautam R, Saklani A, Jachak SM.Indian medicinal plants as a source of antimycobacterial agents.J Ethnopharmacol. 2007 Mar 21;110(2):200-34

2) Rahman S, Fukamiya N, Okano M, Tagahara K, Lee KH.Anti-tuberculosis activity of quassinoids.Chem Pharm Bull (Tokyo). 1997 Sep;45(9):1527-9

Curator

Record - 2 of 86 [TOP]

Compound ID

1085

Compound Structure

Plant Source

Ailanthus altissima (Mill.) Swingle syn. Altissima glandulsa Desf. Common Name:Tree of Heaven, Ailanto (English), Aralu (Sanskrit)

Source Family

Simaroubaceae

Origin

India, China

Plant Part Used

Mother tinture

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Rifampin (0.031 µg/ml)

Inhibition [%]

17 %

Activity [MIC] µg/ml

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ailanthone

PubChem ID

72965

Ethnomedicinal Information

Used for treating mental illness, nausea and headache, treating cardiac palpitation, asthma and epilepsy

PubMed ID [Source Literature]

17276637

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Quassinoid, Furanoid, Lactone, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

376.152

Molecular Formula

C₂₀H₂₄O₇

SMILES

O1[C@]2(O)[C@H]3[C@]4([C@H](OC(=O)C[C@H]4C(=C)[C@H]2O)C[C@@H]2[C@@]3([C@H](O)C(=O)C=C2C)C)C1

XLogP

-0.429

PSA

113.290

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 86 [TOP]

Compound ID

1086

Compound Structure

Plant Source

Ailanthus altissima (Mill.) Swingle syn. Altissima glandulsa Desf. Common Name:Tree of Heaven, Ailanto (English), Aralu (Sanskrit)

Source Family

Simaroubaceae

Origin

India, China

Plant Part Used

Mother tinture

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Rifampin (0.031 µg/ml)

Inhibition [%]

15 %

Activity [MIC] µg/ml

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Shinjudilactone

PubChem ID

460534

Ethnomedicinal Information

Used for treating mental illness, nausea and headache, treating cardiac palpitation, asthma and epilepsy

PubMed ID [Source Literature]

17276637

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Quassinoid, Lactone

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

376.152

Molecular Formula

C₂₀H₂₄O₇

SMILES

O1[C@H]2[C@]34[C@@H]([C@@]5([C@@H](C2)C(=CC(=O)[C@H]5O)C)C)[C@](O)(C([C@@H]3CC1=O)C)C(=O)OC4

XLogP

0.413

PSA

110.130

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 86 [TOP]

Compound ID

1751

Compound Structure

Plant Source

Ficus nervosa Synonym : Ficus angustifolia Roxb Common Name:Wild Banyan Tree (English)

Source Family

Moraceae

Origin

India

Plant Part Used

Root

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Middlebrook 7 H10 agar method

Positive Control Used (conc.)

Ethambutol (6.25 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

>= 200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

(S) - Lasiodiplodin

PubChem ID

Ethnomedicinal Information

Used in treatment of cough and asthma

PubMed ID [Source Literature]

20658670

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Lactone, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

292.167

Molecular Formula

C₁₇H₂₄O₄

SMILES

C1c(cc(c2c1CCCCCCC[C@@H](OC2=O)C)OC)O

XLogP

5.001

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)

1) Chen LW, Cheng MJ, Peng CF, Chen IS. Secondary Metabolites and Antimycobacterial Activities from the Roots of Ficus nervosa, Chemistry & Biodiversity Volume 7, Issue 7, pages 1814–1821, July 2010

Curator

Record - 5 of 86 [TOP]

Compound ID

1928

Compound Structure

Plant Source

Inula racemosa Hook. f. syn. Inula helenium L. Common Name:Elecampane (English), Pushkaramula, Pushkara, Paushkara, Padmapatra, Kaashmira, Kushtha - bheda (Sanskrit)

Source Family

Asteraceae (Compositae)

Origin

India

Plant Part Used

Root

Extract

Hexane, dichloromethane, methanol

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Radiorespirometric Bioassay

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

Alantolactone

PubChem ID

72724

Ethnomedicinal Information

Tuberculosis, lung disorders, cough, expectorant,Random screening,bronchitis

PubMed ID [Source Literature]

10364842

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Sesquiterpene, Lactone

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

232.146

Molecular Formula

C₁₅H₂₀O₂

SMILES

O1[C@@H]2C[C@@]3(C(=C[C@@H]2C(=C)C1=O)[C@H](CCC3)C)C

XLogP

3.443

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) 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

2) Kirtikar, K.R., Basu, B.D., 1935. Indian Medicinal Plants, vols. 1–4. Lalit Mohan Basu, Allahabad, India

Curator

Record - 6 of 86 [TOP]

Compound ID

1929

Compound Structure

Plant Source

Inula racemosa Hook. f. syn. Inula helenium L. Common Name:Elecampane (English), Pushkaramula, Pushkara, Paushkara, Padmapatra, Kaashmira, Kushtha - bheda (Sanskrit)

Source Family

Asteraceae (Compositae)

Origin

India, USA

Plant Part Used

Root

Extract

Hexane, dichloromethane, methanol

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Radiorespirometric Bioassay

Positive Control Used (conc.)

Rifampin (0.25 - 0.125 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

32 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Isoalantolactone

PubChem ID

73285

Ethnomedicinal Information

Tuberculosis, lung disorders, cough, expectorant, random screening, bronchitis

PubMed ID [Source Literature]

10364842

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Sesquiterpene, Lactone

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

232.146

Molecular Formula

C₁₅H₂₀O₂

SMILES

O1[C@@H]2C[C@@]3([C@@H](C[C@@H]2C(=C)C1=O)C(=C)CCC3)C

XLogP

3.681

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)

Curator

Record - 7 of 86 [TOP]

Compound ID

1930

Compound Structure

Plant Source

Inula racemosa Hook. f. syn. Inula helenium L. Common Name:Elecampane (English), Pushkaramula, Pushkara, Paushkara, Padmapatra, Kaashmira, Kushtha - bheda (Sanskrit)

Source Family

Asteraceae (Compositae)

Origin

India

Plant Part Used

Root

Extract

Hexane, dichloromethane, methanol

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Radiorespirometric Bioassay

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

> 128 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

11, 13 - Dihydroisoalantolactone

PubChem ID

474517

Ethnomedicinal Information

Tuberculosis, lung disorders, cough, expectorant, random screening, bronchitis

PubMed ID [Source Literature]

10364842

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Sesquiterpene, Lactone

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

234.162

Molecular Formula

C₁₅H₂₂O₂

SMILES

O1[C@H]2[C@H](C[C@@H]3[C@@](C2)(CCCC3=C)C)C(C1=O)C

XLogP

3.863

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)

Curator

Record - 8 of 86 [TOP]

Compound ID

2100

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

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Radiorespirometric Bioassay

Positive Control Used (conc.)

Rifampin (0.25 - 0.125 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

32 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Costunolide

PubChem ID

5281437

Ethnomedicinal Information

Stimulant, diaphoretic, tonic, malaria, rheumatism, random screening

PubMed ID [Source Literature]

9747541

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Sesquiterpene, Lactone

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

232.146

Molecular Formula

C₁₅H₂₀O₂

SMILES

O1[C@H]2[C@@H](CC/C(=C/CC/C(=C/2)/C)/C)C(=C)C1=O

XLogP

3.308

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) Fischer NH, Lu T, Cantrell CL, Castañeda-Acosta J, Quijano L, Franzblau SG.Antimycobacterial evaluation of germacranolides.Phytochemistry. 1998 Sep;49(2):559-64

Curator

Record - 9 of 86 [TOP]

Compound ID

2101

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

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Radiorespirometric Bioassay

Positive Control Used (conc.)

Rifampin (0.25 - 0.125 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

16 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Parthenolide

PubChem ID

7251185

Ethnomedicinal Information

Cytotoxic, anti-tumor, anti-bacterial, anti-fungal, anti-inflammatory, european fever, migraine

PubMed ID [Source Literature]

9747541

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Sesquiterpene, Lactone, Epoxy

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

248.141

Molecular Formula

C₁₅H₂₀O₃

SMILES

O1[C@]2([C@H]1[C@H]1OC(=O)C(=C)[C@@H]1CC/C(=C/CC2)/C)C

XLogP

2.449

PSA

38.830

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) Fischer NH, Lu T, Cantrell CL, Castañeda-Acosta J, Quijano L, Franzblau SG.Antimycobacterial evaluation of germacranolides.Phytochemistry. 1998 Sep;49(2):559-64

Curator

Record - 10 of 86 [TOP]

Compound ID

2102

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

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Rifampin (0.25 - 0.125 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

64 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

1,10-Epoxycostunolide

PubChem ID

6474991

Ethnomedicinal Information

Stimulant, diaphoretic, tonic, malaria, rheumatism, random screening

PubMed ID [Source Literature]

9747541

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Sesquiterpene, Epoxy, Lactone

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

248.141

Molecular Formula

C₁₅H₂₀O₃

SMILES

O1C2([C@H]1CC/C(=C/[C@H]1OC(=O)C(=C)[C@@H]1CC2)/C)C

XLogP

2.082

PSA

38.830

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) Fischer NH, Lu T, Cantrell CL, Castañeda-Acosta J, Quijano L, Franzblau SG.Antimycobacterial evaluation of germacranolides.Phytochemistry. 1998 Sep;49(2):559-64

Curator

Record - 11 of 86 [TOP]

Compound ID

2103

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

Extract

Target Bacteria

Mycobacterium avium

Assay / Test Done

Radiorespirometric Bioassay

Positive Control Used (conc.)

Clarithroycin (1 - 2 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

128 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Costunolide

PubChem ID

5281437

Ethnomedicinal Information

Stimulant, diaphoretic, tonic, malaria, rheumatism, random screening

PubMed ID [Source Literature]

9747541

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Sesquiterpene, Lactone

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

232.146

Molecular Formula

C₁₅H₂₀O₂

SMILES

O1[C@H]2[C@@H](CC/C(=C/CC/C(=C/2)/C)/C)C(=C)C1=O

XLogP

3.308

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) Fischer NH, Lu T, Cantrell CL, Castañeda-Acosta J, Quijano L, Franzblau SG.Antimycobacterial evaluation of germacranolides.Phytochemistry. 1998 Sep;49(2):559-64

Curator

Record - 12 of 86 [TOP]

Compound ID

2104

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

Extract

Target Bacteria

Mycobacterium avium

Assay / Test Done

Radiorespirometric Bioassay

Positive Control Used (conc.)

Clarithroycin (1 - 2 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

64 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Parthenolide

PubChem ID

7251185

Ethnomedicinal Information

Cytotoxic, anti-tumor, anti-bacterial, anti-fungal, anti-inflammatory, european fever, migraine

PubMed ID [Source Literature]

9747541

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Sesquiterpene, Lactone, Epoxy

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

248.141

Molecular Formula

C₁₅H₂₀O₃

SMILES

O1[C@]2([C@H]1[C@H]1OC(=O)C(=C)[C@@H]1CC/C(=C/CC2)/C)C

XLogP

2.449

PSA

38.830

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) Fischer NH, Lu T, Cantrell CL, Castañeda-Acosta J, Quijano L, Franzblau SG.Antimycobacterial evaluation of germacranolides.Phytochemistry. 1998 Sep;49(2):559-64

Curator

Record - 13 of 86 [TOP]

Compound ID

2105

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

Extract

Target Bacteria

Mycobacterium avium

Assay / Test Done

Positive Control Used (conc.)

Clarithroycin (1 - 2 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

128 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

1,10-Epoxycostunolide

PubChem ID

6474991

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]

9747541

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Sesquiterpene, Epoxy, Lactone

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

248.141

Molecular Formula

C₁₅H₂₀O₃

SMILES

O1C2([C@H]1CC/C(=C/[C@H]1OC(=O)C(=C)[C@@H]1CC2)/C)C

XLogP

2.082

PSA

38.830

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) Fischer NH, Lu T, Cantrell CL, Castañeda-Acosta J, Quijano L, Franzblau SG.Antimycobacterial evaluation of germacranolides.Phytochemistry. 1998 Sep;49(2):559-64

Curator

Record - 14 of 86 [TOP]

Compound ID

2288

Compound Structure

Plant Source

Parmelia saxatilis L. Common Name:Lichen

Source Family

Parmeliaceae

Origin

British Columbia

Plant Part Used

Extract

Target Bacteria

Mycobacterium aurum

Assay / Test Done

Positive Control Used (conc.)

Rifampin (2 µg/ml), Streptomycin (0.25 µg/ml), Isoniazid (0.03 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

250 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Salazinic acid

PubChem ID

5320418

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

9795033

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Depside, Aldehyde, Lactone, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

388.043

Molecular Formula

C₁₈H₁₂O₁₀

SMILES

O1c2c3c(c(O)c(c2OC(=O)c2c1c(c(O)cc2C)C=O)CO)C(=O)OC3O

XLogP

0.720

PSA

159.820

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) Ingólfsdóttir K, Chung GA, Skúlason VG, Gissurarson SR, Vilhelmsdóttir M.Antimycobacterial activity of lichen metabolites in vitro.Eur J Pharm Sci. 1998 Apr;6(2):141-4

Curator

Record - 15 of 86 [TOP]

Compound ID

2113

Compound Structure

Plant Source

Magnolia virginiana Common Name:

Source Family

Magnoliaceae

Origin

USA

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Radiorespirometric Bioassay

Positive Control Used (conc.)

Rifampin (0.25 - 0.125 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

32 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Costunolide

PubChem ID

5281437

Ethnomedicinal Information

In the treatment of malaria and is also taken internally in the treatment of colds, bronchial diseases, upper respiratory tract infections, rheumatism and gout

PubMed ID [Source Literature]

9747541

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Sesquiterpene, Lactone

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

232.146

Molecular Formula

C₁₅H₂₀O₂

SMILES

O1[C@H]2[C@@H](CC/C(=C/CC/C(=C/2)/C)/C)C(=C)C1=O

XLogP

3.308

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) Fischer NH, Lu T, Cantrell CL, Castañeda-Acosta J, Quijano L, Franzblau SG.Antimycobacterial evaluation of germacranolides.Phytochemistry. 1998 Sep;49(2):559-64

Curator

Record - 16 of 86 [TOP]

Compound ID

2114

Compound Structure

Plant Source

Magnolia virginiana Common Name:

Source Family

Magnoliaceae

Origin

USA

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Radiorespirometric Bioassay

Positive Control Used (conc.)

Rifampin (0.25 - 0.125 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

16 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Parthenolide

PubChem ID

7251185

Ethnomedicinal Information

Cytotoxic, anti-tumor, anti-bacterial, anti-fungal, anti-inflammatory, european fever, migraine

PubMed ID [Source Literature]

9747541

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Sesquiterpene, Lactone, Epoxy

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

248.141

Molecular Formula

C₁₅H₂₀O₃

SMILES

O1[C@]2([C@H]1[C@H]1OC(=O)C(=C)[C@@H]1CC/C(=C/CC2)/C)C

XLogP

2.449

PSA

38.830

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) Fischer NH, Lu T, Cantrell CL, Castañeda-Acosta J, Quijano L, Franzblau SG.Antimycobacterial evaluation of germacranolides.Phytochemistry. 1998 Sep;49(2):559-64

Curator

Record - 17 of 86 [TOP]

Compound ID

2432

Compound Structure

Plant Source

Potamogeton malaianus Common Name:Curly Pondweed (English)

Source Family

Potamogetonaceae

Origin

India

Plant Part Used

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Potamogetonin

PubChem ID

6453492

Ethnomedicinal Information

Anti - inflammatory, tuberculosis

PubMed ID [Source Literature]

11277765

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Diterpene, Furanoid, Lactone

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

314.188

Molecular Formula

C₂₀H₂₆O₃

SMILES

CC12CCCC3(C1CCC(=C)C3CCC4=COC=C4)C(=O)OC2

XLogP

4.183

PSA

39.440

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) Kittakoop P, Wanasith S, Watts P, Kramyu J, Tanticharoen M, Thebtaranonth Y.Potent antiviral potamogetonyde and potamogetonol, new furanoid labdane diterpenes from Potamogeton malaianus.J Nat Prod. 2001 Mar;64(3):385-8

Curator

Record - 18 of 86 [TOP]

Compound ID

2433

Compound Structure

Plant Source

Potamogeton malaianus Common Name:Curly Pondweed (English)

Source Family

Potamogetonaceae

Origin

India

Plant Part Used

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

15,16-epoxy-12-oxo-8(17),13(16),14-labdatrien-20,19-olide

PubChem ID

5478978

Ethnomedicinal Information

Anti-inflammatory, tuberculosis

PubMed ID [Source Literature]

11277765

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Diterpene, Terpene, Furanoid, Lactone, Ketone, Acetyl, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

328.167

Molecular Formula

C₂₀H₂₄O₄

SMILES

O1C[C@]2([C@@H]3[C@]([C@@H](C(=C)CC3)CC(=O)c3ccoc3)(CCC2)C1=O)C

XLogP

2.899

PSA

56.510

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 - 19 of 86 [TOP]

Compound ID

2509

Compound Structure

Plant Source

Rudbeckia submentosa Common Name:

Source Family

Asteraceae (Compositae)

Origin

USA

Plant Part Used

Root, leaf, stem, flower

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Radiorespirometric Bioassay

Positive Control Used (conc.)

Rifampin (0.25 - 0.125 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

32 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Alloalantolactone

PubChem ID

474518

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

10364842

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Sesquiterpene, Lactone

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

232.146

Molecular Formula

C₁₅H₂₀O₂

SMILES

O1[C@@H]2C[C@@]3(C(=C(CCC3)C)C[C@@H]2C(=C)C1=O)C

XLogP

2.891

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) 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 - 20 of 86 [TOP]

Compound ID

2510

Compound Structure

Plant Source

Rudbeckia submentosa Common Name:

Source Family

Asteraceae (Compositae)

Origin

USA

Plant Part Used

Root, leaf, stem, flower

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Radiorespirometric Bioassay

Positive Control Used (conc.)

Rifampin (0.25 - 0.125 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

128 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

3 - Oxoalloalatolactone

PubChem ID

474519

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

10364842

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Sesquiterpene, Lactone, Ketone

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

246.126

Molecular Formula

C₁₅H₁₈O₃

SMILES

O1[C@@H]2C[C@@]3(C(=C(C(=O)CC3)C)C[C@@H]2C(=C)C1=O)C

XLogP

0.918

PSA

43.370

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)

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 - 21 of 86 [TOP]

Compound ID

2620

Compound Structure

Plant Source

Solidago rugosa Mill Common Name:Wrinkleleaf Goldenrod

Source Family

Asteraceae (Compositae)

Origin

North America

Plant Part Used

Root, Aerial

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

> 100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Monoacetate

PubChem ID

3035155

Ethnomedicinal Information

Anti - inflammatory, tuberculosis

PubMed ID [Source Literature]

7772306

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Lactone, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

806.445

Molecular Formula

C₄₃H₆₆O₁₄

SMILES

OC12[C@H]3[C@@H]([C@@]4([C@H](CC3)C[C@@H](O[C@H]3O[C@@H]([C@@H](O[C@H]5O[C@@H]([C@@H](OC(=O)C)[C@@H](O)C5)C)[C@@H](O[C@H]5O[C@@H]([C@@H](O)[C@@H](O)C5)C)C3)C)CC4)C)CC[C@@]1([C@H](CC2)C1=CC(=O)OC1)C

XLogP

4.155

PSA

188.900

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) Lu T, Vargas D, Franzblau SG, Fischer NH. Diterpenes from Solidago rugosa.Phytochemistry.1995 Jan;38(2):451-6

Curator

Record - 22 of 86 [TOP]

Compound ID

2836

Compound Structure

Plant Source

Zingiber officinale Rosc. Common Name:Ginger (English), Fresh Rhizome - Aardraka, Aadrikaa, Shrngibera (Sanskrit)

Source Family

Zingiberaceae

Origin

India, Malaysia

Plant Part Used

Rhizome

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Radiorespirometric Bioassay

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

> 100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

6 - Gingerol

PubChem ID

3473

Ethnomedicinal Information

Leprosy, expectorant, asthma, bronchitis, cough, phthisis, tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Butenolide, Lactone, Alkene

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

294.183

Molecular Formula

C₁₇H₂₆O₄

SMILES

OC(CCCCC)CC(=O)CCc1cc(OC)c(O)cc1

XLogP

2.887

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) R.D. Hiserodt,S.G. Franzblau and R.T. Rosen.Isolation of 6-, 8-, and 10-Gingerol from Ginger Rhizome by HPLC and Preliminary Evaluation of Inhibition of Mycobacterium avium and Mycobacterium tuberculosis.J. Agric. Food Chem., 1998, 46 (7), pp 2504–2508

2) Kirtikar, K.R., Basu, B.D., 1935. Indian Medicinal Plants, vols. 1–4. Lalit Mohan Basu, Allahabad, India

3) Jain, S.K., Tarafder, C.R., 1970. Medicinal plant lore of the Santals. A revival of P.O. Boddings, work. Economic Botany 24, 241–278.

Curator

Record - 23 of 86 [TOP]

Compound ID

3057

Compound Structure

Plant Source

Ajuga remota Benth. Common Name:NR

Source Family

Lamiaceae

Origin

Plant Part Used

Aerial

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Radiorespirometric Bioassay

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

> 128 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ajugarin - I

PubChem ID

173866

Ethnomedicinal Information

PubMed ID [Source Literature]

10630115

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Diterpene, Acetyl, Lactone, Epoxide

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

434.230

Molecular Formula

C₂₄H₃₄O₇

SMILES

O1[C@]2([C@]3([C@@H]([C@]([C@@H](C[C@@H]3OC(=O)C)C)(CCC3=CC(=O)OC3)C)CCC2)COC(=O)C)C1

XLogP

3.862

PSA

91.430

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, Fronczek FR, Fischer NH.Antimycobacterial ergosterol-5,8-endoperoxide from Ajuga remota.Planta Med. 1999 Dec;65(8):732-4

Curator

Record - 24 of 86 [TOP]

Compound ID

3058

Compound Structure

Plant Source

Ajuga remota Benth. Common Name:NR

Source Family

Lamiaceae

Origin

Plant Part Used

Aerial

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Radiorespirometric Bioassay

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

> 128 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ajugarin - II

PubChem ID

3085250

Ethnomedicinal Information

PubMed ID [Source Literature]

10630115

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Diterpene, O-Acetyl, Lactone, Epoxy, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

392.220

Molecular Formula

C₂₂H₃₂O₆

SMILES

O1[C@]2([C@]3([C@@H]([C@]([C@@H](C[C@@H]3O)C)(CCC3=CC(=O)OC3)C)CCC2)COC(=O)C)C1

XLogP

3.122

PSA

85.360

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, Fronczek FR, Fischer NH.Antimycobacterial ergosterol-5,8-endoperoxide from Ajuga remota.Planta Med. 1999 Dec;65(8):732-4

Curator

Record - 25 of 86 [TOP]

Compound ID

3061

Compound Structure

Plant Source

Costus Common Name:NR

Source Family

Costaceae

Origin

Plant Part Used

Root

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Radiorespirometric Bioassay

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

Dehydrocostus lactone

PubChem ID

73174

Ethnomedicinal Information

PubMed ID [Source Literature]

9784148

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Sesquiterpene, Lactone

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

230.131

Molecular Formula

C₁₅H₁₈O₂

SMILES

O1[C@@H]2[C@@H]3[C@@H](CCC3=C)C(=C)CC[C@H]2C(=C)C1=O

XLogP

2.451

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) Cantrell CL, Nuñez IS, Castañeda-Acosta J, Foroozesh M, Fronczek FR, Fischer NH, Franzblau SG.Antimycobacterial activities of dehydrocostus lactone and its oxidation products.J Nat Prod. 1998 Oct;61(10):1181-6

Curator

Farzana-shamsudeen, gppreetha

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)