BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 5 Record - 1 of 106 [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 - 2 of 106 [TOP]

Compound ID

1555

Compound Structure

Plant Source

Croton kongensis Common Name:

Source Family

Lamiaceae

Origin

China

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

6.25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ent - 8, 9 - Seco - 8, 14 - Epoxy - 7α - Hydroxy - 11β - Acetoxy - 16 - Kauren - 9, 15 - Dione

PubChem ID

Ethnomedicinal Information

Antimalarial activity, tuberculosis, dysmenorrheal treatment

PubMed ID [Source Literature]

12828479, 1511068

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Terpene, Sesquiterpene, Epoxy, Ketone, O-Acetyl, Alcohol

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

376.189

Molecular Formula

C₂₁H₂₈O₆

SMILES

C1CCC([C@@H]2C1C(=O)[C@H](CC1C3C(C(=O)C1=C)(C(C2)O)O3)OC(=O)C)(C)C

XLogP

1.760

PSA

93.200

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) Thongtan J, Kittakoop P, Ruangrungsi N, Saenboonrueng J, Thebtaranonth Y.New antimycobacterial and antimalarial 8,9-secokaurane diterpenes from Croton kongensis.J Nat Prod. 2003 Jun;66(6):868-70

2) Hendrix PG, Hoylaerts MF, Nouwen EJ, Van de Voorde A, De Broe ME.Magnetic beads in suspension enable a rapid and sensitive immunodetection of human placental alkaline phosphatase.Eur J Clin Chem Clin Biochem. 1992 Jun;30(6):343-7

Curator

Record - 3 of 106 [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)

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 - 4 of 106 [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 - 5 of 106 [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 - 6 of 106 [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 - 7 of 106 [TOP]

Compound ID

1951

Compound Structure

Plant Source

Juniperus communis Linn. Common Name:Common Juniper (English), Hapushaa, Havushaa, Haauber, Matsyagandha (Sanskrit)

Source Family

Cupressaceae

Origin

Worldwide, Mexico, India, British Columbia, particularly in Europe

Plant Part Used

Root

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Low Oxygen Recovery Assay (LORA)

Positive Control Used (conc.)

Inhibition [%]

97.7 %

Activity [MIC] µg/ml

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Longifolene

PubChem ID

289151

Ethnomedicinal Information

Antiseptic properties. In France berries used in treatment of scrofula and chest complaints

PubMed ID [Source Literature]

19755141

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Terpene, Sesquiterpene

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

Against mammalian Vero cells (ATCC CCL-81)

Molecular Weight

204.188

Molecular Formula

C₁₅H₂₄

SMILES

C12C3C(C(=C)C1CC3)(CCCC2(C)C)C

XLogP

6.444

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) Gordien AY, Gray AI, Franzblau SG, Seidel V.Antimycobacterial terpenoids from Juniperus communis L. (Cuppressaceae).J Ethnopharmacol. 2009 Dec 10;126(3):500-5

2) http://plants.usda.gov/java/profile?symbol=JUCO6

Curator

Record - 8 of 106 [TOP]

Compound ID

2034

Compound Structure

Plant Source

Leucas volkensii Gurke Common Name:

Source Family

Labiatae

Origin

Kenya

Plant Part Used

Aerial

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

8 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Farnesol

PubChem ID

445070

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

9491760

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) Rajab MS, Cantrell CL, Franzblau SG, Fischer NH.Antimycobacterial activity of (E)-phytol and derivatives: a preliminary structure-activity study.Planta Med. 1998 Feb;64(1):2-4

Curator

Record - 9 of 106 [TOP]

Compound ID

2051

Compound Structure

Plant Source

Lippia alba (Miller) N. E.Brown Common Name:

Source Family

Verbenaceae

Origin

Colombia, Puerto Rico, India

Plant Part Used

Leaf, stem

Extract

Essential oil (2.5 %)

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

Trans - β - Caryophyllene (5.8 %)

PubChem ID

5281515

Ethnomedicinal Information

Digestive troubles in general, nausea, bronchitis, sore throat, flu, cough, cold, hypertension, skin diseases, wounds, stomach ache, nervous complaints, folklore medicine of Puerto Rico

PubMed ID [Source Literature]

19753839

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Sesquiterpene

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

204.188

Molecular Formula

C₁₅H₂₄

SMILES

C1([C@H]2[C@H](C1)C(=C)CC/C=C(/CC2)C)(C)C

XLogP

6.044

PSA

0.000

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) Bueno-Sánchez JG, Martínez-Morales JR, Stashenko EE, Ribón W.Anti-tubercular activity of eleven aromatic and medicinal plants occurring in Colombia.Biomedica. 2009 Mar;29(1):51-60

2) Thierry Hennebelle, Sevser Sahpaz, Henry Joseph, François Bailleul.Ethnopharmacology of Lippia alba.Journal of Ethnopharmacology, Volume 116, Issue 2, 5 March 2008, Pages 211-222

Curator

Record - 10 of 106 [TOP]

Compound ID

2057

Compound Structure

Plant Source

Lippia alba (Miller) N. E.Brown Common Name:

Source Family

Verbenaceae

Origin

Colombia, Puerto Rico, India

Plant Part Used

Leaf, stem

Extract

Essential oil (1.6 %)

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 - Humulene (1.4 %)

PubChem ID

5281520

Ethnomedicinal Information

Digestive troubles in general, nausea, bronchitis, sore throat, flu, cough, cold, hypertension, skin diseases, wounds, stomach ache, nervous complaints, folklore medicine of Puerto Rico

PubMed ID [Source Literature]

19753839

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Terpene, Sesquiterpene

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

204.188

Molecular Formula

C₁₅H₂₄

SMILES

C1(C/C=C(/CC/C=C(/C/C=C/1)C)C)(C)C

XLogP

5.940

PSA

0.000

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 11 of 106 [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 - 12 of 106 [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 - 13 of 106 [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 - 14 of 106 [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 - 15 of 106 [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 - 16 of 106 [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 - 17 of 106 [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 - 18 of 106 [TOP]

Compound ID

2356

Compound Structure

Plant Source

Piper auritum Common Name:Eared Pepper, False Kava (Hawaii), False Kava - Kava, Hierba Santa, Hoja Santa

Source Family

Piperaceae

Origin

Colombia

Plant Part Used

Leaf

Extract

Essential oil (2.3 %)

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

400 ± 220 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Trans - β - Caryophyllene

PubChem ID

5281515

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

19753839

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Sesquiterpene

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

204.188

Molecular Formula

C₁₅H₂₄

SMILES

C1([C@H]2[C@H](C1)C(=C)CC/C=C(/CC2)C)(C)C

XLogP

6.044

PSA

0.000

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) Bueno-Sánchez JG, Martínez-Morales JR, Stashenko EE, Ribón W.Anti-tubercular activity of eleven aromatic and medicinal plants occurring in Colombia.Biomedica. 2009 Mar;29(1):51-60

Curator

Record - 19 of 106 [TOP]

Compound ID

2359

Compound Structure

Plant Source

Piper auritum Common Name:Eared Pepper, False Kava (Hawaii), False Kava - Kava, Hierba Santa, Hoja Santa

Source Family

Piperaceae

Origin

Colombia

Plant Part Used

Leaf

Extract

Essential oil (2.3 %)

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

400 ± 220 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Spathulenol

PubChem ID

522266

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

19753839

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Sesquiterpene, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

220.183

Molecular Formula

C₁₅H₂₄O

SMILES

OC1(C2C3C(C3CCC(=C)C2CC1)(C)C)C

XLogP

4.157

PSA

20.230

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) Bueno-Sánchez JG, Martínez-Morales JR, Stashenko EE, Ribón W.Anti-tubercular activity of eleven aromatic and medicinal plants occurring in Colombia.Biomedica. 2009 Mar;29(1):51-60

Curator

Record - 20 of 106 [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 106 [TOP]

Compound ID

2369

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 (0.03µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

130 ± 95 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

δ - Cadinene

PubChem ID

441005

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

19753839

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Sesquiterpene

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

204.188

Molecular Formula

C₁₅H₂₄

SMILES

[C@@H]1([C@H]2C(=C(CC1)C)CCC(=C2)C)C(C)C

XLogP

5.460

PSA

0.000

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) Bueno-Sánchez JG, Martínez-Morales JR, Stashenko EE, Ribón W.Anti-tubercular activity of eleven aromatic and medicinal plants occurring in Colombia.Biomedica. 2009 Mar;29(1):51-60

Curator

Record - 22 of 106 [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 - 23 of 106 [TOP]

Compound ID

2371

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

Trans - β - Caryophyllene (3.1 %)

PubChem ID

5281515

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

19753839

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Sesquiterpene

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

204.188

Molecular Formula

C₁₅H₂₄

SMILES

C1([C@H]2[C@H](C1)C(=C)CC/C=C(/CC2)C)(C)C

XLogP

6.044

PSA

0.000

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) Bueno-Sánchez JG, Martínez-Morales JR, Stashenko EE, Ribón W.Anti-tubercular activity of eleven aromatic and medicinal plants occurring in Colombia.Biomedica. 2009 Mar;29(1):51-60

Curator

Record - 24 of 106 [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 - 25 of 106 [TOP]

Compound ID

2416

Compound Structure

Plant Source

Polyalthia cerasoides (Roxb.) Benth. ex Bedd Common Name:

Source Family

Annonaceae

Origin

Thailand

Plant Part Used

Root

Extract

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.05 µg/ml), Kanamycin (2.5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

6.25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

α - Humulene

PubChem ID

5281520

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

17845001

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Terpene, Sesquiterpene

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

204.188

Molecular Formula

C₁₅H₂₄

SMILES

C1(C/C=C(/CC/C=C(/C/C=C/1)C)C)(C)C

XLogP

5.940

PSA

0.000

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) Kanokmedhakul S, Kanokmedhakul K, Lekphrom R.Bioactive constituents of the roots of Polyalthia cerasoides.J Nat Prod. 2007 Sep;70(9):1536-8

Curator

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