BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 1 Record - 1 of 11 [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 11 [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 11 [TOP]

Compound ID

2204

Compound Structure

Plant Source

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

Source Family

Rubiaceae

Origin

Indo - Pacific region

Plant Part Used

Leaf

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Broth dilution assay using BACTEC system

Positive Control Used (conc.)

Rifampin (0.125 µg/ml)

Inhibition [%]

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

Activity [MIC] µg/ml

> 64 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Cycloartenol

PubChem ID

17750995

Ethnomedicinal Information

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

PubMed ID [Source Literature]

12410555

Extract Preparation

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

Chemical Classification [Active Compound]

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

Media / Broth Used [Antimicrobial Assay/Test]

Bactec 12B broth

Cytotoxicity Assay [AID]

N/A

Molecular Weight

426.386

Molecular Formula

C₃₀H₅₀O

SMILES

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

XLogP

11.921

PSA

20.230

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

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

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

Curator

Record - 4 of 11 [TOP]

Compound ID

3658

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

> 64 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Cycloartenol

PubChem ID

17750995

Ethnomedicinal Information

Anti - inflammatory, analgesic, antipyretic

PubMed ID [Source Literature]

15635183

Extract Preparation

Chemical Classification [Active Compound]

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

426.386

Molecular Formula

C₃₀H₅₀O

SMILES

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

XLogP

11.921

PSA

20.230

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) 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 - 5 of 11 [TOP]

Compound ID

3659

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

64 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

24 - Methylenecycloartanol

PubChem ID

94204

Ethnomedicinal Information

Anti - inflammatory, analgesic, antipyretic

PubMed ID [Source Literature]

15635183

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Cycloartane, 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

440.402

Molecular Formula

C₃₁H₅₂O

SMILES

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

XLogP

12.365

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) 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 - 6 of 11 [TOP]

Compound ID

3660

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

> 64 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

(24R) - Cycloartane - 3β, 24, 25 - Triol

PubChem ID

5270670

Ethnomedicinal Information

Anti - inflammatory, analgesic, antipyretic

PubMed ID [Source Literature]

15635183

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Cycloartane, 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

460.392

Molecular Formula

C₃₀H₅₂O₃

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](O)C(O)(C)C)C)C)C)CC2)CC1)(C)C

XLogP

9.572

PSA

60.690

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 - 7 of 11 [TOP]

Compound ID

3661

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

32 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

(24S) - Cycloartane - 3β, 24, 25 - Triol

PubChem ID

Ethnomedicinal Information

Anti - inflammatory, analgesic, antipyretic

PubMed ID [Source Literature]

15635183

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Cycloartane, 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

460.392

Molecular Formula

C₃₀H₅₂O₃

SMILES

C1C[C@@H](C([C@H]2C31C1([C@@H](CC2)[C@]2([C@](CC1)([C@H](CC2)[C@H](C)CCC(C(C)(C)O)O)C)C)C3)(C)C)O

XLogP

9.572

PSA

60.690

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 - 8 of 11 [TOP]

Compound ID

3662

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

> 64 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

(24S) - 25 - Methoxycycloartane - 3β, 24-diol

PubChem ID

5270669

Ethnomedicinal Information

Anti - inflammatory, analgesic, antipyretic

PubMed ID [Source Literature]

15635183

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene,Cycloartane, 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

474.407

Molecular Formula

C₃₁H₅₄O₃

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](O)C(OC)(C)C)C)C)C)CC2)CC1)(C)C

XLogP

10.091

PSA

49.690

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 - 9 of 11 [TOP]

Compound ID

4038

Compound Structure

Plant Source

Blepharodon nitidum Common Name:

Source Family

Asclepiadaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis (H37Rv and MDR strain)

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

EJMC68

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Cycloartane, Peroxy, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

458.376

Molecular Formula

C₃₀H₅₀O₃

SMILES

C=C(C)C(OO)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3CCC4C(C)(C)[C@@H](O)CC[C@@]54[C@]3(C5)CC[C@]12C

XLogP

9.986

PSA

49.690

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) In silico Comparison of Antimycobacterial Natural Products with Known Antituberculosis Drugs. Marlene Espinoza-Moraga, Nicholas M. Njuguna, Grace Mugumbate, Julio Caballero, and Kelly Chibale. Journal of Chemical Information and Modeling 2013 53 (3), 649-660

2) García, A., Bocanegra-García, V., Palma-Nicolás, J. P., Rivera, G. Vennerstrom, J. L. Recent Advances in Antitubercular Natural Products. Eur. J. Med. Chem. 2012, 49, 1-23

Curator

Record - 10 of 11 [TOP]

Compound ID

4134

Compound Structure

Plant Source

Blepharodon nitidum Common Name:

Source Family

Asclepiadaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

EJMC69

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Cycloartane, Peroxy, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

458.376

Molecular Formula

C₃₀H₅₀O₃

SMILES

CC(C)(OO)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)C3CCC4C(C)(C)[C@@H](O)CC[C@@]54[C@]3(C5)CC[C@]12C

XLogP

10.306

PSA

49.690

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 11 [TOP]

Compound ID

4135

Compound Structure

Plant Source

Blepharodon nitidum Common Name:

Source Family

Asclepiadaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis (MDR strain)

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

EJMC69

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Cycloartane, Peroxy, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

458.376

Molecular Formula

C₃₀H₅₀O₃

SMILES

CC(C)(OO)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)C3CCC4C(C)(C)[C@@H](O)CC[C@@]54[C@]3(C5)CC[C@]12C

XLogP

10.306

PSA

49.690

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

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