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 2 Record - 1 of 49 [TOP]

Compound ID

1280

Compound Structure

Plant Source

Borrichia frutescens L. Common Name:Sea Daisy

Source Family

Asteraceae (Compositae)

Origin

Southeastern 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

8 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

(24R)-24,25-epoxycycloartan-3-one

PubChem ID

469544

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

8988597

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Terpene, Triterpene, Cycloartane, Ketone, Epoxy

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@@]3([C@@]4(C3)[C@H]([C@]3([C@](CC4)([C@H](CC3)[C@@H](CC[C@H]3OC3(C)C)C)C)C)CC2)CC1)(C)C

XLogP

9.983

PSA

29.600

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) Cantrell CL, 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 - 2 of 49 [TOP]

Compound ID

1281

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

8 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

(3β, 24R) - 24, 25 - Epoxycycloartan - 3 - Ol

PubChem ID

469545

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

8988597

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Terpene, Triterpene, Cycloartane, Epoxy, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

Against Vero cells

Molecular Weight

442.381

Molecular Formula

C₃₀H₅₀O₂

SMILES

O[C@H]1C([C@H]2[C@@]3([C@@]4(C3)[C@H]([C@]3([C@](CC4)([C@H](CC3)[C@@H](CC[C@H]3OC3(C)C)C)C)C)CC2)CC1)(C)C

XLogP

10.590

PSA

32.760

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) 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 - 3 of 49 [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 - 4 of 49 [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 - 5 of 49 [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 - 6 of 49 [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 - 7 of 49 [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 - 8 of 49 [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 - 9 of 49 [TOP]

Compound ID

3056

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

Clerodin

PubChem ID

124059

Ethnomedicinal Information

PubMed ID [Source Literature]

10630115

Extract Preparation

Chemical Classification [Active Compound]

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

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)([C@H]3OC4OC=CC4C3)C)CCC2)COC(=O)C)C1

XLogP

3.678

PSA

83.590

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 - 10 of 49 [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 - 11 of 49 [TOP]

Compound ID

3065

Compound Structure

Plant Source

Costus Common Name:NR

Source Family

Costaceae

Origin

Plant Part Used

Extract

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

4-α-(15)-Epoxide

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

9784148

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Terpene, Sesquiterpene, Epoxy, Lactone

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

246.126

Molecular Formula

C₁₅H₁₈O₃

SMILES

C1(=C)[C@H]2[C@@H]([C@@H]3[C@@H](CC1)C(=C)C(=O)O3)[C@]1(CC2)CO1

XLogP

1.715

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) 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

Record - 12 of 49 [TOP]

Compound ID

3066

Compound Structure

Plant Source

Costus Common Name:NR

Source Family

Costaceae

Origin

Plant Part Used

Extract

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

10β(14)-Epoxide

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

9784148

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Terpene, Sesquiterpene, Epoxy, Lactone

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

246.126

Molecular Formula

C₁₅H₁₈O₃

SMILES

C12([C@H]3[C@@H]([C@@H]4[C@@H](CC1)C(=C)C(=O)O4)C(=C)CC3)OC2

XLogP

1.504

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)

Curator

Farzana-shamsudeen, gppreetha

Record - 13 of 49 [TOP]

Compound ID

3067

Compound Structure

Plant Source

Costus Common Name:NR

Source Family

Costaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Radiorespirometric Bioassay

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

64 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

10α(14)-Epoxide

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

9784148

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Sesquiterpene, Epoxy, Lactone

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

246.126

Molecular Formula

C₁₅H₁₈O₃

SMILES

C12([C@H]3[C@@H]([C@@H]4[C@@H](CC1)C(=C)C(=O)O4)C(=C)CC3)OC2

XLogP

1.504

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)

Curator

Farzana-shamsudeen, gppreetha

Record - 14 of 49 [TOP]

Compound ID

3068

Compound Structure

Plant Source

Costus Common Name:NR

Source Family

Costaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Radiorespirometric Bioassay

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

64 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

4β(15),10α(14)-diepoxide

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

9784148

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic,Terpene, Sesquiterpene, Epoxy, Lactone

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

262.121

Molecular Formula

C₁₅H₁₈O₄

SMILES

C12([C@H]3[C@@H]([C@@H]4[C@@H](CC1)C(=C)C(=O)O4)C1(CC3)OC1)OC2

XLogP

0.979

PSA

51.360

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)

Curator

Farzana-shamsudeen, gppreetha

Record - 15 of 49 [TOP]

Compound ID

3069

Compound Structure

Plant Source

Costus Common Name:NR

Source Family

Costaceae

Origin

Plant Part Used

Extract

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

4α(15),10α(14)Diepoxide

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

9784148

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Sesquiterpene, Epoxy, Lactone

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

262.121

Molecular Formula

C₁₅H₁₈O₄

SMILES

C12([C@H]3[C@@H]([C@@H]4[C@@H](CC1)C(=C)C(=O)O4)C1(CC3)CO1)OC2

XLogP

0.979

PSA

51.360

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)

Curator

Farzana-shamsudeen, gppreetha

Record - 16 of 49 [TOP]

Compound ID

3070

Compound Structure

Plant Source

Costus Common Name:NR

Source Family

Costaceae

Origin

Plant Part Used

Extract

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

4α(15),10β(14)-diepoxide

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

9784148

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic,Terpene, Sesquiterpene, Epoxy, Lactone

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

262.121

Molecular Formula

C₁₅H₁₈O₄

SMILES

C12([C@H]3[C@@H]([C@@H]4[C@@H](CC1)C(=C)C(=O)O4)C1(CC3)OC1)OC2

XLogP

0.979

PSA

51.360

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)

Curator

Farzana-shamsudeen, gppreetha

Record - 17 of 49 [TOP]

Compound ID

3405

Compound Structure

Plant Source

Montanoa speciosa Common Name:

Source Family

Asteraceae (Compositae)

Origin

India, USA

Plant Part Used

Root

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Radiorespirometric Bioassay

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

5α - Epoxyalantolactone

PubChem ID

474521

Ethnomedicinal Information

PubMed ID [Source Literature]

10364842

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Sesquiterpene, Lactone, Epoxy

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

248.141

Molecular Formula

C₁₅H₂₀O₃

SMILES

O1[C@]23[C@@](C[C@H]4OC(=O)C(=C)[C@H]4[C@H]12)(CCC[C@@H]3C)C

XLogP

2.414

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) 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 - 18 of 49 [TOP]

Compound ID

3664

Compound Structure

Plant Source

Chrysanthemum morifolium RAMAT. Common Name:Chrysanthemum

Source Family

Asteraceae (Compositae)

Origin

Asia and Northeastern Europe

Plant Part Used

Flower

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis H37Rv (ATCC 27 294)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.25 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

6 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

4, 5α - Epoxyhelianol

PubChem ID

5273651

Ethnomedicinal Information

Anti - inflammatory, analgesic, antipyretic

PubMed ID [Source Literature]

15635183

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Triterpene, Prenylated, Epoxy, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H12 medium

Cytotoxicity Assay [AID]

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

Molecular Weight

444.397

Molecular Formula

C₃₀H₅₂O₂

SMILES

O1C2([C@H]([C@]3([C@@H]([C@@]4([C@]([C@@H](CC4)[C@H](CCC=C(C)C)C)(CC3)C)C)CC2)C)CCCO)C1(C)C

XLogP

10.779

PSA

32.760

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

Curator

Vikramjitmandal

Record - 19 of 49 [TOP]

Compound ID

3677

Compound Structure

Plant Source

Micromelum hirsutum Common Name:

Source Family

Rutaceae

Origin

Plant Part Used

Stem bark

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis Erdman (ATCC 35 801)

Assay / Test Done

Positive Control Used (conc.)

Rifampin

Inhibition [%]

> 90 %

Activity [MIC] µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

5α - Epoxyalantolactone

PubChem ID

474521

Ethnomedicinal Information

PubMed ID [Source Literature]

15770548

Extract Preparation

The dried, milled stem bark of Micromelum hirsutum was extracted with CH₂Cl₂ to yield 45.5 g extract, of which 32.1 g were chromatographed by vacuum liquid chromatography over a silica gel column

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Sesquiterpene, Lactone, Epoxy

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

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

Molecular Weight

248.141

Molecular Formula

C₁₅H₂₀O₃

SMILES

O1[C@]23[C@@](C[C@H]4OC(=O)C(=C)[C@H]4[C@H]12)(CCC[C@@H]3C)C

XLogP

2.414

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) Ma C, Case RJ, Wang Y, Zhang HJ, Tan GT, Van Hung N, Cuong NM, Franzblau SG, Soejarto DD, Fong HH, Pauli GF.Anti-tuberculosis constituents from the stem bark of Micromelum hirsutum.Planta Med. 2005 Mar;71(3):261-7

Curator

Vikramjitmandal

Record - 20 of 49 [TOP]

Compound ID

3717

Compound Structure

Plant Source

Harrisonia perforata Common Name:

Source Family

Simaroubaceae

Origin

Hainan, Cambodia, Cochin, China, Burma and West Malaysia

Plant Part Used

Branch

Extract

Ethanol (95 %)

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.04 - 0.09 µg/ml), Kanamycin sulphate (2.0 - 5.3 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Perforamone A

PubChem ID

11572850

Ethnomedicinal Information

Antimalarial activity

PubMed ID [Source Literature]

16394547

Extract Preparation

The branches of Harrisonia perforata (5.1 kg) were extracted with 95 % EtOH at room temperature. The ethanolic extract was filtered and evaporated to a dark brown viscous oil (186.3 g). The extract was partitioned between water (500 ml) and EtOAc (3 x 500 ml) and the water layer was further extracted with n-BuOH (3 x 400 ml). After evaporation, the EtOAc-, n-BuOH- and water - soluble fractions gave a brown viscous oil (69.8 g), a dark brown viscous oil (25.7 g) and a light brown viscous oil (50.8 g), respectively. The ethyl acetate soluble fraction is separated by flash column chromatography using silica gel

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Chromone, Epoxy, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

290.115

Molecular Formula

C₁₆H₁₈O₅

SMILES

O1C(C1Cc1c2oc(cc(=O)c2c(O)cc1OC)C)(C)C

XLogP

1.056

PSA

59.060

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) Tuntiwachwuttikul P, Phansa P, Pootaeng-On Y, Taylor WC.Chromones from the branches of Harrisonia perforata.Chem Pharm Bull (Tokyo). 2006 Jan;54(1):44-7

Curator

Vikramjitmandal, Reshmi

Record - 21 of 49 [TOP]

Compound ID

3755

Compound Structure

Plant Source

Calliandra californica Benth. Common Name:NR

Source Family

Fabaceae

Origin

Plant Part Used

Root

Extract

Ethyl acetate

Target Bacteria

Mycobacterium tuberculosis H37Rv (CIBIN / UMF15 : 099)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

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

Escobarine A

PubChem ID

11983334

Ethnomedicinal Information

PubMed ID [Source Literature]

16755469

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Diterpene, Epoxy, Aldehyde, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against 5 human tumor cell lines

Molecular Weight

330.183

Molecular Formula

C₂₀H₂₆O₄

SMILES

O1[C@@]2([C@H]3[C@@H]([C@@]4([C@H](C(CCC4)(C)C)C[C@@H]3O)C)CC(=O)[C@]12C#C)C=O

XLogP

3.288

PSA

66.900

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) Encarnación-Dimayuga R, Agúndez-Espinoza J, García A, Delgado G, Molina-Salinas GM, Said-Fernández S.Two new cassane-type diterpenes from Calliandra californica with antituberculosis and cytotoxic activities.Planta Med. 2006 Jun;72(8):757-61. Epub 2006 Jun 1

Curator

Reshmi, vikramjitmandal

Record - 22 of 49 [TOP]

Compound ID

3808

Compound Structure

Plant Source

Angelica sinensis Common Name:Dang Gui

Source Family

Apiaceae (Umbelliferae)

Origin

Northwest China

Plant Part Used

Root

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.06 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 60 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Heptadeca - 1 - Ene - 9, 10 - Epoxy - 4, 6 - Diyne - 3, 8 - Diol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

18567055

Extract Preparation

8 kg of the pulverized roots of Angelica sinensis Diels were extracted with methanol and the extract sequentially partitioned with petroleum ether, CHCl₃, and BuOH

Chemical Classification [Active Compound]

Aliphatic, Alkene, Alkyne, Epoxy, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H12 medium

Cytotoxicity Assay [AID]

Against Vero cells

Molecular Weight

276.173

Molecular Formula

C₁₇H₂₄O₃

SMILES

C(#CC(C=C)O)C#CC(O)C1C(CCCCCCC)O1

XLogP

3.663

PSA

52.990

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) Deng S, Wang Y, Inui T, Chen SN, Farnsworth NR, Cho S, Franzblau SG, Pauli GF.Anti-TB polyynes from the roots of Angelica sinensis.Phytother Res. 2008 Jul;22(7):878-82

Curator

KeyaMukherjee, reshmi, Farzana Shamsudeen, Vikramjitmandal

Record - 23 of 49 [TOP]

Compound ID

3813

Compound Structure

Plant Source

Angelica sinensis Common Name:Dang Gui

Source Family

Apiaceae (Umbelliferae)

Origin

Northwest China

Plant Part Used

Root

Extract

Target Bacteria

Mycobacterium tuberculosis (Erdman)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.05 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 60 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Heptadeca - 1 - Ene - 9, 10 - Epoxy - 4, 6 - Diyne - 3, 8 - Diol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

18567055

Extract Preparation

8 kg of the pulverized roots of Angelica sinensis Diels were extracted with methanol and the extract sequentially partitioned with petroleum ether, CHCl₃, and BuOH

Chemical Classification [Active Compound]

Aliphatic, Alkene, Alkyne, Epoxy, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H12 medium

Cytotoxicity Assay [AID]

Against Vero cells

Molecular Weight

276.173

Molecular Formula

C₁₇H₂₄O₃

SMILES

C(#CC(C=C)O)C#CC(O)C1C(CCCCCCC)O1

XLogP

3.663

PSA

52.990

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) Deng S, Wang Y, Inui T, Chen SN, Farnsworth NR, Cho S, Franzblau SG, Pauli GF.Anti-TB polyynes from the roots of Angelica sinensis.Phytother Res. 2008 Jul;22(7):878-82

Curator

KeyaMukherjee, reshmi, Farzana Shamsudeen, Vikramjitmandal

Record - 24 of 49 [TOP]

Compound ID

3869

Compound Structure

Plant Source

Achyrocline alata Common Name:NR

Source Family

Asteraceae (Compositae)

Origin

Colombia

Plant Part Used

Leaf, stem

Extract

Essential oil (0.3 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Isoniazid (0.19 ± 0.07 µg/ml), Rifampin (0.3 ± 0.21 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

62.5 ± 0.01 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Caryophyllene oxide (2.2 %)

PubChem ID

14350

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

19753839

Extract Preparation

The essential oils were extracted from a 300 g sample of plant leaves and stems by microwave - assisted hydrodistillation (30 min, 250 ml water), using a Clevenger - type distillation apparatus and a Dean - Stark distillation trap in a domestic microwave oven. Sodium sulfate was added as a drying agent to the decanted essential oil

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Sesquiterpene, Epoxy

Media / Broth Used [Antimicrobial Assay/Test]

Lowestein - Jensenn medium, Middlebrook 7H9 medium [The later was supplemented with 10 % OADC (Oleic Acid - Albumin - Dextrose - Catalase) and 0.001 % Tween 80]

Cytotoxicity Assay [AID]

Molecular Weight

220.183

Molecular Formula

C₁₅H₂₄O

SMILES

O1C2(C1CCC(=C)C1C(C(C1)(C)C)CC2)C

XLogP

4.607

PSA

12.530

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) 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

KeyaMukherjee, Farzana Shamsudeen

Record - 25 of 49 [TOP]

Compound ID

1484

Compound Structure

Plant Source

Clavija procera Common Name:

Source Family

Theophrastaceae

Origin

Peru

Plant Part Used

Stems, bark

Extract

Ethanol (95 %)

Target Bacteria

Mycobacterium tuberculosis (H37Rv)

Assay / Test Done

Tetrazolium Microplate Assay (TEMA)

Positive Control Used (conc.)

Isoniazid (0.125 µg/ml), Rifampicin (0.063 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

3.1 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Aegicerin

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

16724857

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene,Triterpene, Epoxy, Furanoid, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

456.360

Molecular Formula

C₃₀H₄₈O₃

SMILES

C1CC(C(C2C1(C1C(CC2)(C2(C3(CC1)C1C(C(=O)C2)(CCC(C1)(C)C)CO3)C)C)C)(C)C)O

XLogP

7.411

PSA

46.530

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) Rojas R, Caviedes L, Aponte JC, Vaisberg AJ, Lewis WH, Lamas G, Sarasara C, Gilman RH, Hammond GB.Aegicerin, the first oleanane triterpene with wide-ranging antimycobacterial activity, isolated from Clavija procera.J Nat Prod. 2006 May;69(5):845-6

Curator

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)