BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 2 Record - 1 of 39 [TOP]

Compound ID

1282

Compound Structure

Plant Source

Borrichia frutescens L. Common Name:Sea Daisy

Source Family

Asteraceae (Compositae)

Origin

USA

Plant Part Used

Flower, leaf, stem

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Positive Control Used (conc.)

Fusidic acid (4 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

64 - 128 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

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

PubChem ID

469546

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

8988597

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Ketone, Prenylated

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

Against Vero cells

Molecular Weight

440.365

Molecular Formula

C₃₀H₄₈O₂

SMILES

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

XLogP

7.784

PSA

37.300

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

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

Curator

Record - 2 of 39 [TOP]

Compound ID

1750

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

Ergosterol peroxide

PubChem ID

6475145

Ethnomedicinal Information

Used in treatment of cough and asthma

PubMed ID [Source Literature]

20658670

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Peroxide, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

428.329

Molecular Formula

C₂₈H₄₄O₃

SMILES

O1O[C@]23[C@@](C4[C@@]1(C1[C@@]([C@H](CC1)[C@H](C)/C=C/[C@@H](C(C)C)C)(CC4)C)C=C2)(CC[C@H](O)C3)C

XLogP

8.383

PSA

38.690

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) 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 - 3 of 39 [TOP]

Compound ID

2205

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

Ethanol, Hexane

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Radiorespirometric Bioassay

Positive Control Used (conc.)

Rifampin (0.125 µg/ml)

Inhibition [%]

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

Activity [MIC] µg/ml

< 2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Stigmasta - 4 - 22 - Dien - 3 - One

PubChem ID

6479802

Ethnomedicinal Information

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

PubMed ID [Source Literature]

12410555

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Ketone

Media / Broth Used [Antimicrobial Assay/Test]

Bactec 12B broth

Cytotoxicity Assay [AID]

N/A

Molecular Weight

424.371

Molecular Formula

C₃₀H₄₈O

SMILES

O=C1CC[C@@]2(C3C([C@]4([C@@]([C@H](CC4)C(C)/C=C/[C@H](C(C)C)CC)(CC3)C)C)CCC2=C1)C

XLogP

11.670

PSA

17.070

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 39 [TOP]

Compound ID

2206

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

Ethanol, Hexane

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Radiorespirometric Bioassay

Positive Control Used (conc.)

Rifampin (0.125 µg/ml)

Inhibition [%]

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

Activity [MIC] µg/ml

128 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

β - sitosterol

PubChem ID

222284

Ethnomedicinal Information

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

PubMed ID [Source Literature]

12410555

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

414.386

Molecular Formula

C₂₉H₅₀O

SMILES

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

XLogP

11.595

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)

Curator

Record - 5 of 39 [TOP]

Compound ID

2207

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

Radiorespirometric Bioassay

Positive Control Used (conc.)

Rifampin (0.125 µg/ml)

Inhibition [%]

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

Activity [MIC] µg/ml

32 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Stigmasterol

PubChem ID

5280794

Ethnomedicinal Information

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

PubMed ID [Source Literature]

12410555

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

412.371

Molecular Formula

C₂₉H₄₈O

SMILES

O[C@@H]1CC2=CC[C@H]3[C@H]4[C@@]([C@H](CC4)[C@H](C)/C=C/[C@H](C(C)C)CC)(CC[C@@H]3[C@]2(CC1)C)C

XLogP

11.071

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)

Curator

Record - 6 of 39 [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 - 7 of 39 [TOP]

Compound ID

2951

Compound Structure

Plant Source

Haloxylon salicornicum Bunge ex Boiss Common Name:NR

Source Family

Chenopodiaceae

Origin

Pakistan, Egypt, Jordan, Palestine, Iran, Iraq and Kuwait (in unfertile areas)

Plant Part Used

Whole plant

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Micro Broth Dilution Method

Positive Control Used (conc.)

Isoniazid (0.02 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

24-Ethyl cholesta-3,5-diene

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

20542692

Extract Preparation

Methanol extract further partitioned with water and hexane. The water layer was further extracted with chloroform and subjected to silica gel column chromatography

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9 broth

Cytotoxicity Assay [AID]

Molecular Weight

426.386

Molecular Formula

C₃₀H₅₀O

SMILES

C1=CC(CC2=C1C1C(C3(C(CC1)CCC3C(C)CCCCCCCCCC)C)CC2)O

XLogP

12.044

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) Bibi N, Tanoli SA, Farheen S, Afza N, Siddiqi S, Zhang Y, Kazmi SU, Malik A.In vitro antituberculosis activities of the constituents isolated from Haloxylon salicornicum.Bioorg Med Chem Lett. 2010 Jul 15;20(14):4173-6

Curator

KeyaMukherjee, vsheeba

Record - 8 of 39 [TOP]

Compound ID

2961

Compound Structure

Plant Source

Haloxylon salicornicum Bunge ex Boiss Common Name:NR

Source Family

Chenopodiaceae

Origin

Pakistan, Egypt, Jordan, Palestine, Iran, Iraq and Kuwait (in unfertile areas)

Plant Part Used

Whole plant

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Micro Broth Dilution Method

Positive Control Used (conc.)

Isoniazid (0.02 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Stigmasterol

PubChem ID

5280794

Ethnomedicinal Information

PubMed ID [Source Literature]

20542692

Extract Preparation

Methanol extract further partitioned with water and hexane. The water layer was further extracted with chloroform and subjected to silica gel column chromatography

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9 broth

Cytotoxicity Assay [AID]

Molecular Weight

412.371

Molecular Formula

C₂₉H₄₈O

SMILES

O[C@@H]1CC2=CC[C@H]3[C@H]4[C@@]([C@H](CC4)[C@H](C)/C=C/[C@H](C(C)C)CC)(CC[C@@H]3[C@]2(CC1)C)C

XLogP

11.071

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)

Curator

KeyaMukherjee, vsheeba

Record - 9 of 39 [TOP]

Compound ID

2964

Compound Structure

Plant Source

Haloxylon salicornicum Bunge ex Boiss Common Name:NR

Source Family

Chenopodiaceae

Origin

Pakistan, Egypt, Jordan, Palestine, Iran, Iraq and Kuwait (in unfertile areas)

Plant Part Used

Whole plant

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Micro Broth Dilution Method

Positive Control Used (conc.)

Isoniazid (0.02 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

5α-Epidioxyergosta-6,9(11), 22-triene

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

20542692

Extract Preparation

Methanol extract further partitioned with water and hexane. The water layer was further extracted with chloroform and subjected to silica gel column chromatography

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Peroxy, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9 broth

Cytotoxicity Assay [AID]

Molecular Weight

426.313

Molecular Formula

C₂₈H₄₂O₃

SMILES

C1C[C@@H](C[C@@]23[C@]1(C1=CC[C@@]4(C(CC[C@H]4[C@]1(C=C2)OO3)[C@@H](/C=C/[C@H](C(C)C)C)C)C)C)O

XLogP

7.484

PSA

38.690

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

KeyaMukherjee, vsheeba

Record - 10 of 39 [TOP]

Compound ID

2965

Compound Structure

Plant Source

Haloxylon salicornicum Bunge ex Boiss Common Name:NR

Source Family

Chenopodiaceae

Origin

Pakistan, Egypt, Jordan, Palestine, Iran, Iraq and Kuwait (in unfertile areas)

Plant Part Used

Whole plant

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Micro Broth Dilution Method

Positive Control Used (conc.)

Isoniazid (0.02 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

α - 8 α Epidioxy Ergost - 6, 22 - Dien - 3β - Ol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

20542692

Extract Preparation

Methanol extract further partitioned with water and hexane. The water layer was further extracted with chloroform and subjected to silica gel column chromatography

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Peroxide, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9 broth

Cytotoxicity Assay [AID]

Molecular Weight

428.329

Molecular Formula

C₂₈H₄₄O₃

SMILES

C1C[C@@H](C[C@@]23[C@]1([C@@H]1[C@](C=C2)([C@H]2[C@](CC1)(C(CC2)[C@@H](/C=C/[C@H](C(C)C)C)C)C)OO3)C)O

XLogP

8.383

PSA

38.690

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

KeyaMukherjee, vsheeba

Record - 11 of 39 [TOP]

Compound ID

2966

Compound Structure

Plant Source

Haloxylon salicornicum Bunge ex Boiss Common Name:NR

Source Family

Chenopodiaceae

Origin

Pakistan, Egypt, Jordan, Palestine, Iran, Iraq and Kuwait (in unfertile areas)

Plant Part Used

Whole plant

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Micro Broth Dilution Method

Positive Control Used (conc.)

Isoniazid (0.02 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

24β (24S)-Ethyl-cholesta-4-22 E diene 3-O-β-D-glucoside

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

20542692

Extract Preparation

Methanol extract further partitioned with water and hexane. The water layer was further extracted with chloroform and subjected to silica gel column chromatography

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9 broth

Cytotoxicity Assay [AID]

Molecular Weight

588.439

Molecular Formula

C₃₆H₆₀O₆

SMILES

C1CC(C=C2[C@]1([C@@H]1[C@@](CC2)([C@H]2[C@](CC1)(C(CC2)[C@@H](/C=C/[C@H](C(C)C)CC)C)C)C)C)OC1O[C@@H]([C@H]([C@H](O)[C@H]1O)O)CO

XLogP

10.835

PSA

99.380

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

KeyaMukherjee, vsheeba

Record - 12 of 39 [TOP]

Compound ID

2967

Compound Structure

Plant Source

Haloxylon salicornicum Bunge ex Boiss Common Name:NR

Source Family

Chenopodiaceae

Origin

Pakistan, Egypt, Jordan, Palestine, Iran, Iraq and Kuwait (in unfertile areas)

Plant Part Used

Whole plant

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Micro Broth Dilution Method

Positive Control Used (conc.)

Isoniazid (0.02 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

24β (24S)-Ethyl cholesta-4-22 E diene 3-O-α-L-rhamnoside

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

20542692

Extract Preparation

Methanol extract further partitioned with water and hexane. The water layer was further extracted with chloroform and subjected to silica gel column chromatography

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9 broth

Cytotoxicity Assay [AID]

Molecular Weight

558.428

Molecular Formula

C₃₅H₅₈O₅

SMILES

C1CC(C=C2[C@]1([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)(C(CC2)[C@@H](/C=C/[C@H](C(C)C)CC)C)C)C)OC1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O

XLogP

10.932

PSA

79.150

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

KeyaMukherjee, vsheeba

Record - 13 of 39 [TOP]

Compound ID

2968

Compound Structure

Plant Source

Haloxylon salicornicum Bunge ex Boiss Common Name:NR

Source Family

Chenopodiaceae

Origin

Pakistan, Egypt, Jordan, Palestine, Iran, Iraq and Kuwait (in unfertile areas)

Plant Part Used

Whole plant

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Micro Broth Dilution Method

Positive Control Used (conc.)

Isoniazid (0.02 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Stigmasterol-3-O-β-D-glucopyranoside

PubChem ID

44237224

Ethnomedicinal Information

Healing of internal ulcers, insect stings

PubMed ID [Source Literature]

20542692

Extract Preparation

Methanol extract further partitioned with water and hexane. The water layer was further extracted with chloroform and subjected to silica gel column chromatography

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9 broth

Cytotoxicity Assay [AID]

Molecular Weight

574.423

Molecular Formula

C₃₅H₅₈O₆

SMILES

O([C@@H]1CC2=CCC3C4[C@@](C(CC4)[C@H](C)/C=C/[C@H](C(C)C)CC)(CCC3[C@]2(CC1)C)C)C1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO

XLogP

9.963

PSA

99.380

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

KeyaMukherjee, vsheeba

Record - 14 of 39 [TOP]

Compound ID

3359

Compound Structure

Plant Source

Borrichia frutescens Common Name:Sea Daisy

Source Family

Asteraceae (Compositae)

Origin

Southeastern United States

Plant Part Used

Flower

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Radiorespirometric Bioassay

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

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

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

8988597

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Steroid, Epoxide

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against Vero cells

Molecular Weight

442.381

Molecular Formula

C₃₀H₅₀O₂

SMILES

C1C[C@H](C(C2[C@]31[C@]1(C(CC2)[C@]2([C@](CC1)([C@H](CC2)[C@@H](CC[C@@H]1C(C)(C)O1)C)C)C)C3)(C)C)O

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 - 15 of 39 [TOP]

Compound ID

3418

Compound Structure

Plant Source

Morinda citrifolia Common Name:Noni

Source Family

Rubiaceae

Origin

Indo - Pacific region

Plant Part Used

Leaf

Extract

Ethanol, Hexane

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Radiorespirometric Bioassay

Positive Control Used (conc.)

Rifampin (0.125 µg/ml)

Inhibition [%]

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

Activity [MIC] µg/ml

< 2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Stigmasta - 4 - En - 3 - One

PubChem ID

579897

Ethnomedicinal Information

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, Tetracyclic, Steroid, Ketone

Media / Broth Used [Antimicrobial Assay/Test]

Bactec 12B broth

Cytotoxicity Assay [AID]

Molecular Weight

412.371

Molecular Formula

C₂₉H₄₈O

SMILES

O=C1CCC2(C3C(C4C(C(CC4)C(CCC(C(C)C)CC)C)(CC3)C)CCC2=C1)C

XLogP

11.588

PSA

17.070

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

Curator

Reshmi

Record - 16 of 39 [TOP]

Compound ID

3044

Compound Structure

Plant Source

Alpinia purpurata (Vieill.) K. Schum Common Name:Red Ginger

Source Family

Zingiberaceae

Origin

Philippines

Plant Part Used

Leaf

Extract

Ethanol

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (99% inhibition at 0.18 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 128 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Sitosteryl - 3 - O - 6 - Palmitoyl - β - D - glucoside

PubChem ID

Ethnomedicinal Information

Antiviral activity against HIV

PubMed ID [Source Literature]

21120040

Extract Preparation

Air dried leaves mixed with ethanol, hexane, dichloromethane and n - butanol

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Triterpene, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H11 agar

Cytotoxicity Assay [AID]

Plant sterols, particularly U - Sitosterol and its glucosides, have been investigated as immune regulators of T - cell activity and as agents in maintaining the CD4+ count

Molecular Weight

646.481

Molecular Formula

C₃₉H₆₆O₇

SMILES

C1C[C@@H](CC2=CCC3C([C@@]12C)CC[C@@]1([C@H](CCC31)[C@H](C)CC[C@@H](CC)C(C)C)C)OC1OC(C(C(C1O)O)O)COC(=O)CCC

XLogP

11.620

PSA

105.450

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) Villaflores OB, Macabeo AP, Gehle D, Krohn K, Franzblau SG, Aguinaldo AM.Phytoconstituents from Alpinia purpurata and their in vitro inhibitory activity against Mycobacterium tuberculosis.Pharmacogn Mag. 2010 Oct;6(24):339-44

Curator

Vikramjitmandal

Record - 17 of 39 [TOP]

Compound ID

3045

Compound Structure

Plant Source

Alpinia purpurata (Vieill.) K. Schum Common Name:Red Ginger

Source Family

Zingiberaceae

Origin

Philippines

Plant Part Used

Leaf

Extract

Ethanol

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (99% inhibition at 0.18 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 128 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

β - Sitosteryl Galactoside

PubChem ID

Ethnomedicinal Information

Antiviral activity against HIV

PubMed ID [Source Literature]

21120040

Extract Preparation

Air dried leaves mixed with ethanol, hexane, dichloromethane and n - butanol

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H11 agar

Cytotoxicity Assay [AID]

Plant sterols, particularly U - Sitosterol and its glucosides, have been investigated as immune regulators of T - cell activity and as agents in maintaining the CD4+ count

Molecular Weight

576.439

Molecular Formula

C₃₅H₆₀O₆

SMILES

C1C[C@@H](CC2=CCC3C([C@@]12C)CC[C@@]1([C@H](CCC31)[C@H](C)CC[C@@H](CC)C(C)C)C)OC1OC(C(C(C1O)O)O)CO

XLogP

10.487

PSA

99.380

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

Vikramjitmandal

Record - 18 of 39 [TOP]

Compound ID

3053

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

8 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ergosterol - 5, 8 - Endoperoxide Acetate

PubChem ID

6476655

Ethnomedicinal Information

PubMed ID [Source Literature]

10630115

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Peroxy, O-Acetyl

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

470.340

Molecular Formula

C₃₀H₄₆O₄

SMILES

O1O[C@]23[C@@]([C@@H]4[C@@]1([C@H]1[C@@]([C@H](CC1)[C@H](C)/C=C/[C@@H](C(C)C)C)(CC4)C)C=C2)(CC[C@H](OC(=O)C)C3)C

XLogP

9.123

PSA

44.760

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, 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 - 19 of 39 [TOP]

Compound ID

3054

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

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

Ergosterol

PubChem ID

444679

Ethnomedicinal Information

PubMed ID [Source Literature]

10630115

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

396.339

Molecular Formula

C₂₈H₄₄O

SMILES

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

XLogP

9.499

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) 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 - 20 of 39 [TOP]

Compound ID

3055

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

Ergosta - 5, 7, 9 (11), 22 - Tetraen - 3β - Ol

PubChem ID

6436660

Ethnomedicinal Information

PubMed ID [Source Literature]

10630115

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

394.324

Molecular Formula

C₂₈H₄₂O

SMILES

O[C@@H]1CC2=CC=C3[C@H]4[C@@]([C@H](CC4)[C@H](C)/C=C/[C@@H](C(C)C)C)(CC=C3[C@]2(CC1)C)C

XLogP

9.787

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) 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 - 21 of 39 [TOP]

Compound ID

3059

Compound Structure

Plant Source

Ajuga remota Benth. Common Name:NR

Source Family

Lamiaceae

Origin

Plant Part Used

Aerial

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Radiorespirometric Bioassay

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

1 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ergosterol - 5, 8 - Endoperoxide

PubChem ID

6475766

Ethnomedicinal Information

Antiplasmodial and leishmanicidal activity

PubMed ID [Source Literature]

10630115

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Steroid, Peroxy, Alkene

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against A431 (skin carcinoma) cell line

Molecular Weight

412.334

Molecular Formula

C₂₈H₄₄O₂

SMILES

O1[C@@]23[C@@H]([C@@]4([C@]1(C[C@@H](O)CC4)C=C2)C)CC[C@]1([C@H]3CC[C@@H]1C(C)/C=C/[C@@H](C(C)C)C)C

XLogP

8.257

PSA

29.460

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) 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

Najiya-beegum, vikramjitmandal

Record - 22 of 39 [TOP]

Compound ID

3399

Compound Structure

Plant Source

Melia volkensii Gurke Common Name:

Source Family

Meliaceae

Origin

Voi, Kenya

Plant Part Used

Seed

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis H37Rv (ATCC 27 294)

Assay / Test Done

Radiorespirometric BACTEC Assay

Positive Control Used (conc.)

Inhibition [%]

99 %

Activity [MIC] µg/ml

16 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

12 β - Hydroxykulactone

PubChem ID

6476656

Ethnomedicinal Information

PubMed ID [Source Literature]

10217705

Extract Preparation

Crushed seeds (1 kg) were allowed to stand in 2 l of MeOH for 1 week

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Steroid, Lactone, Ketone, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

468.324

Molecular Formula

C₃₀H₄₄O₄

SMILES

O1[C@@H]2[C@H]([C@]3([C@@](C4=CC[C@@H]5[C@@](C4C[C@H]3O)(CCC(=O)C5(C)C)C)(C2)C)C)[C@H](C1=O)C/C=C/C(C)C

XLogP

5.668

PSA

63.600

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, Rajab MS, Franzblau SG, Fischer NH.Antimycobacterial triterpenes from Melia volkensii.J Nat Prod. 1999 Apr;62(4):546-8

Curator

Vikramjitmandal

Record - 23 of 39 [TOP]

Compound ID

3400

Compound Structure

Plant Source

Melia volkensii Gurke Common Name:

Source Family

Meliaceae

Origin

Voi, Kenya

Plant Part Used

Seed

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis H37Rv (ATCC 27 294)

Assay / Test Done

Radiorespirometric BACTEC Assay

Positive Control Used (conc.)

Inhibition [%]

99 %

Activity [MIC] µg/ml

16 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Kulonate

PubChem ID

490539

Ethnomedicinal Information

Used in folk medicine to alleviate pain - tea prepared from bark

PubMed ID [Source Literature]

10217705

Extract Preparation

Crushed seeds (1 kg) were allowed to stand in 2 l of MeOH for 1 week

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Ester, Ketone, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

526.366

Molecular Formula

C₃₃H₅₀O₅

SMILES

O1[C@@H]2[C@H]([C@]3([C@](C2)(C2=CC[C@@H]4[C@@](C2CC3)(CCC(=O)C4(C)C)C)C)C)[C@@H]([C@H]1O)[C@@H](CCC=C(C)C)C(=O)OC

XLogP

6.712

PSA

72.830

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, Rajab MS, Franzblau SG, Fischer NH.Antimycobacterial triterpenes from Melia volkensii.J Nat Prod. 1999 Apr;62(4):546-8

Curator

Vikramjitmandal

Record - 24 of 39 [TOP]

Compound ID

3401

Compound Structure

Plant Source

Melia volkensii Gurke Common Name:

Source Family

Meliaceae

Origin

Voi, Kenya

Plant Part Used

Seed

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis H37Rv (ATCC 27 294)

Assay / Test Done

Radiorespirometric BACTEC Assay

Positive Control Used (conc.)

Inhibition [%]

99 %

Activity [MIC] µg/ml

4 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

6β - Hydroxykulactone

PubChem ID

6476657

Ethnomedicinal Information

PubMed ID [Source Literature]

10217705

Extract Preparation

Crushed seeds (1 kg) were allowed to stand in 2 l of MeOH for 1 week

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Steroid, Lactone, Ketone

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

468.324

Molecular Formula

C₃₀H₄₄O₄

SMILES

O1[C@@H]2[C@H]([C@]3([C@@](C4=C[C@@H](O)[C@@H]5[C@@](C4CC3)(CCC(=O)C5(C)C)C)(C2)C)C)[C@H](C1=O)C/C=C/C(C)C

XLogP

5.934

PSA

63.600

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, Rajab MS, Franzblau SG, Fischer NH.Antimycobacterial triterpenes from Melia volkensii.J Nat Prod. 1999 Apr;62(4):546-8

Curator

Rachana, vikramjitmandal

Record - 25 of 39 [TOP]

Compound ID

3413

Compound Structure

Plant Source

Physalis angulata L. Common Name:Camapu, Gooseberry, Hogweed, Balloon Cherry (English)

Source Family

Solanaceae

Origin

Brazil

Plant Part Used

Aerial

Extract

Chloroform

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.2 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 128 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Physalin B

PubChem ID

5488849

Ethnomedicinal Information

Tumors, gastric troubles, diuretic, earache

PubMed ID [Source Literature]

12203265

Extract Preparation

Aerial parts of P. angulata (83.56 g) were extracted with CHCl₃. After solvent removal, the crude CHCl₃ extract A (3.65 g) was fractionated over a silica gel column using Hex – AcOEt (7:3 - 3:7)

Chemical Classification [Active Compound]

Alicyclic, Polycyclic, Steroid, Lactone, Ketone, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook liquid medium 7H9

Cytotoxicity Assay [AID]

Molecular Weight

510.189

Molecular Formula

C₂₈H₃₀O₉

SMILES

O1C23C4C5(CC6OC(=O)C5COC1(C4=O)C1C(CCC2(O)C(=O)OC36C)C2(C(=CC1)CC=CC2=O)C)C

XLogP

0.685

PSA

125.430

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) Januário AH, Filho ER, Pietro RC, Kashima S, Sato DN, França SC.Antimycobacterial physalins from Physalis angulata L. (Solanaceae).Phytother Res. 2002 Aug;16(5):445-8

2) Jain, S.K., 1991. Dictionary of Indian Folk Medicine and Ethnobotany. Deep Publications, New Delhi, India

Curator

Wvarsha, rachanake

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