BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 16 Record - 1 of 380 [TOP]

Compound ID

1084

Compound Structure

Plant Source

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

Source Family

Simaroubaceae

Origin

India, China

Plant Part Used

Mother tinture

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Rifampin (0.031 µg/ml)

Inhibition [%]

19 %

Activity [MIC] µg/ml

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Shinjulactone K

PubChem ID

460541

Ethnomedicinal Information

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

PubMed ID [Source Literature]

17276637

Extract Preparation

N/A

Chemical Classification [Active Compound]

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

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

408.215

Molecular Formula

C₂₂H₃₂O₇

SMILES

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

XLogP

1.595

PSA

110.130

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

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

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

Curator

Record - 2 of 380 [TOP]

Compound ID

1085

Compound Structure

Plant Source

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

Source Family

Simaroubaceae

Origin

India, China

Plant Part Used

Mother tinture

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Rifampin (0.031 µg/ml)

Inhibition [%]

17 %

Activity [MIC] µg/ml

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ailanthone

PubChem ID

72965

Ethnomedicinal Information

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

PubMed ID [Source Literature]

17276637

Extract Preparation

N/A

Chemical Classification [Active Compound]

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

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

376.152

Molecular Formula

C₂₀H₂₄O₇

SMILES

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

XLogP

-0.429

PSA

113.290

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 3 of 380 [TOP]

Compound ID

1086

Compound Structure

Plant Source

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

Source Family

Simaroubaceae

Origin

India, China

Plant Part Used

Mother tinture

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Rifampin (0.031 µg/ml)

Inhibition [%]

15 %

Activity [MIC] µg/ml

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Shinjudilactone

PubChem ID

460534

Ethnomedicinal Information

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

PubMed ID [Source Literature]

17276637

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Quassinoid, Lactone

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

376.152

Molecular Formula

C₂₀H₂₄O₇

SMILES

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

XLogP

0.413

PSA

110.130

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 4 of 380 [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 - 5 of 380 [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 - 6 of 380 [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 - 7 of 380 [TOP]

Compound ID

1297

Compound Structure

Plant Source

Brucea javanica (L.) Merrill syn. Rhus javanica L. Common Name:Java Brucea

Source Family

Simaroubaceae

Origin

India, China

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Rifampin

Inhibition [%]

7 %

Activity [MIC] µg/ml

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Bruceoside D

PubChem ID

460525

Ethnomedicinal Information

Treatment of amoebic dysentery and malaria, stomach complaints

PubMed ID [Source Literature]

9332005

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Quassinoid, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

668.232

Molecular Formula

C₃₁H₄₀O₁₆

SMILES

O1C2([C@H]3[C@]4([C@@H]([C@@]5([C@@H](C[C@H]4OC(=O)[C@@H]3OC(=O)C=C(C)C)[C@@H](C(=O)C(=C5)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)C)C)[C@@H](O)[C@@H]2O)C1)C(=O)O

XLogP

-0.909

PSA

256.040

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

2) http://www.hear.org/pier/commonnames/details/brucea_javanica.htm

Curator

Record - 8 of 380 [TOP]

Compound ID

1301

Compound Structure

Plant Source

Buddleja saligna L. Common Name:Squarestem Butterflybush

Source Family

Buddlejaceae

Origin

Africa

Plant Part Used

Leaf, stem

Extract

Hexane

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Disk Diffusion Assay

Positive Control Used (conc.)

Rifampin (2.5 µg/disk)

Inhibition [%]

Activity [MIC] µg/ml

5 µg/Disk

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Oleanolic acid

PubChem ID

10494

Ethnomedicinal Information

Tuberculosis symptoms

PubMed ID [Source Literature]

18384988

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Acid, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

456.360

Molecular Formula

C₃₀H₄₈O₃

SMILES

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

XLogP

9.052

PSA

57.530

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) Bamuamba K, Gammon DW, Meyers P, Dijoux-Franca MG, Scott G.Anti-mycobacterial activity of five plant species used as traditional medicines in the Western Cape Province (South Africa).J Ethnopharmacol. 2008 May 8;117(2):385-90

Curator

Record - 9 of 380 [TOP]

Compound ID

1302

Compound Structure

Plant Source

Buddleja saligna L. Common Name:Squarestem Butterflybush

Source Family

Buddlejaceae

Origin

Africa

Plant Part Used

Leaf, stem

Extract

Hexane

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Bioautography on TLC plates

Positive Control Used (conc.)

Rifampin (2.5 µg/spot)

Inhibition [%]

Activity [MIC] µg/ml

2.5 µg/spot

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Oleanolic acid

PubChem ID

10494

Ethnomedicinal Information

Tuberculosis symptoms

PubMed ID [Source Literature]

18384988

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Acid, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

456.360

Molecular Formula

C₃₀H₄₈O₃

SMILES

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

XLogP

9.052

PSA

57.530

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)

Curator

Record - 10 of 380 [TOP]

Compound ID

1303

Compound Structure

Plant Source

Buddleja saligna L. Common Name:Squarestem Butterflybush

Source Family

Buddlejaceae

Origin

Africa

Plant Part Used

Leaf, stem

Extract

Hexane

Target Bacteria

Mycobacterium avium (ATCC 25291)

Assay / Test Done

Bioautography on TLC plates

Positive Control Used (conc.)

Rifampin (2.5 µg/spot)

Inhibition [%]

Activity [MIC] µg/ml

1.25 µg/spot

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Oleanolic acid

PubChem ID

10494

Ethnomedicinal Information

Tuberculosis symptoms

PubMed ID [Source Literature]

18384988

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Acid, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

456.360

Molecular Formula

C₃₀H₄₈O₃

SMILES

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

XLogP

9.052

PSA

57.530

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)

Curator

Record - 11 of 380 [TOP]

Compound ID

1304

Compound Structure

Plant Source

Buddleja saligna L. Common Name:Squarestem Butterflybush

Source Family

Buddlejaceae

Origin

Africa

Plant Part Used

Leaf, stem

Extract

Hexane

Target Bacteria

Mycobacterium scrofulaceum (ATCC 19981)

Assay / Test Done

Bioautography on TLC plates

Positive Control Used (conc.)

Rifampin (2.5 µg/spot)

Inhibition [%]

Activity [MIC] µg/ml

1.25 µg/spot

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Oleanolic acid

PubChem ID

10494

Ethnomedicinal Information

Tuberculosis symptoms

PubMed ID [Source Literature]

18384988

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Acid, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

456.360

Molecular Formula

C₃₀H₄₈O₃

SMILES

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

XLogP

9.052

PSA

57.530

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)

Curator

Record - 12 of 380 [TOP]

Compound ID

1305

Compound Structure

Plant Source

Buddleja saligna L. Common Name:Squarestem Butterflybush

Source Family

Buddlejaceae

Origin

Africa

Plant Part Used

Leaf, stem

Extract

Hexane

Target Bacteria

Mycobacterium microti (ATCC 19422)

Assay / Test Done

Bioautography on TLC plates

Positive Control Used (conc.)

Rifampin (2.5 µg/spot)

Inhibition [%]

Activity [MIC] µg/ml

2.5 µg/spot

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Oleanolic acid

PubChem ID

10494

Ethnomedicinal Information

Tuberculosis symptoms

PubMed ID [Source Literature]

18384988

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Acid, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

456.360

Molecular Formula

C₃₀H₄₈O₃

SMILES

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

XLogP

9.052

PSA

57.530

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)

Curator

Record - 13 of 380 [TOP]

Compound ID

1316

Compound Structure

Plant Source

Byrsonima crassa Common Name:

Source Family

Malpighiaceae

Origin

Brazil

Plant Part Used

Leaf

Extract

Chloroform

Target Bacteria

Mycobacterium tuberculosis H37Rv (ATCC 27 294)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.03 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

62.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Lupeol

PubChem ID

44586882

Ethnomedicinal Information

Treatment of gastric disorders, diarrhea and infections

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

426.386

Molecular Formula

C₃₀H₅₀O

SMILES

O[C@@H]1C([C@H]2[C@@]([C@@H]3[C@]([C@]4(C([C@@H]5[C@@](CC4)(CC[C@H]5C(=C)C)C)CC3)C)(CC2)C)(CC1)C)(C)C

XLogP

11.901

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) Leite, C.Q.F., Sato, D.N., Higuchi, C.T., Sannomiya, M., Pavan, F.R. and Vilegas W (2008).Antimycobacterial activity of Byrsonima crassa Nied leaf extracts. Revista Brasileira de PIantas Medicinais 10 (4):63-66

Curator

Record - 14 of 380 [TOP]

Compound ID

1317

Compound Structure

Plant Source

Byrsonima crassa Common Name:

Source Family

Malpighiaceae

Origin

Brazil

Plant Part Used

Leaf

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv (ATCC 27 294)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.03 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

62.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

α - Amyrin

PubChem ID

73170

Ethnomedicinal Information

Treatment of gastric disorders, diarrhea and infections

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

426.386

Molecular Formula

C₃₀H₅₀O

SMILES

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

XLogP

11.448

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 - 15 of 380 [TOP]

Compound ID

1318

Compound Structure

Plant Source

Byrsonima crassa Common Name:

Source Family

Malpighiaceae

Origin

Brazil

Plant Part Used

Leaf

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv (ATCC 27 294)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.03 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

62.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

β-Amyrin

PubChem ID

73145

Ethnomedicinal Information

Treatment of gastric disorders, diarrhea and infections

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene. Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

426.386

Molecular Formula

C₃₀H₅₀O

SMILES

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

XLogP

11.546

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 - 16 of 380 [TOP]

Compound ID

1319

Compound Structure

Plant Source

Byrsonima crassa Common Name:

Source Family

Malpighiaceae

Origin

Brazil

Plant Part Used

Leaf

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv (ATCC 27 294)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.03 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

62.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

β-Amyrin acetate

PubChem ID

5318302

Ethnomedicinal Information

Treatment of gastric disorders, diarrhea and infections

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, O-Acetyl

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

468.397

Molecular Formula

C₃₂H₅₂O₂

SMILES

O([C@@H]1C(C2[C@@](C3[C@](C4(C(=CC3)C3[C@@](CC4)(CCC(C3)(C)C)C)C)(CC2)C)(CC1)C)(C)C)C(=O)C

XLogP

12.286

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 - 17 of 380 [TOP]

Compound ID

1320

Compound Structure

Plant Source

Byrsonima crassa Common Name:

Source Family

Malpighiaceae

Origin

Brazil

Plant Part Used

Leaf

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv (ATCC 27 294)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.03 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

62.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

α - Amyrenone

PubChem ID

124018

Ethnomedicinal Information

Treatment of gastric disorders, diarrhea and infections

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Ketone

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

424.371

Molecular Formula

C₃₀H₄₈O

SMILES

O=C1C([C@H]2[C@@](C3[C@]([C@]4(C(=CC3)[C@H]3[C@@](CC4)(CC[C@H]([C@@H]3C)C)C)C)(CC2)C)(CC1)C)(C)C

XLogP

10.841

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)

Curator

Record - 18 of 380 [TOP]

Compound ID

1335

Compound Structure

Plant Source

Caesalpinia pulcherrima (L.) Sw. Common Name:Barbados Pride (English), Padangam, Ratnagandhi, Krishnachuudaa (Sanskrit)

Source Family

Caesalpiniaceae

Origin

India

Plant Part Used

Root

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.040 – 0.090 µg/ml) and Kanamycin sulphate (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

6β - Cinnamoyl - 7β - Hydroxyvouacapen - 5α - Ol

PubChem ID

6479669

Ethnomedicinal Information

Tuberculosis, bronchitis, asthma

PubMed ID [Source Literature]

14531033

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Terpene, Diterpene, Furanoid, Cinnamoyl, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

Against KB, BC, NCI - H187 cell lines

Molecular Weight

464.256

Molecular Formula

C₂₉H₃₆O₅

SMILES

O[C@]12[C@@]([C@@H]3[C@@H]([C@@H](O)[C@H]1OC(=O)/C=C/c1ccccc1)[C@H](c1c(occ1)C3)C)(CCCC2(C)C)C

XLogP

7.503

PSA

79.900

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) Promsawan N, Kittakoop P, Boonphong S, Nongkunsarn P.Antitubercular cassane furanoditerpenoids from the roots of Caesalpinia pulcherrima.Planta Med. 2003 Aug;69(8):776-7

2) Chopra, R.N., Nayar, S.L., Chopra, R.C., 1956. Glossary of Indian Medicinal Plants. Council of Scientific and Industrial Research, New Delhi, India

Curator

Record - 19 of 380 [TOP]

Compound ID

1400

Compound Structure

Plant Source

Celaenodendron mexicanum Common Name:

Source Family

Euphorbiaceae

Origin

Mexico

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.06 µg/ml), Ethambutol (2 µg/ml), Rifampin (0.06 µg/ml), Streptomycin (0.50 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

3α - Hydroxy - 7, 24Z - dien - tirucalla - 26 - oic acid

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Terpene, Nortriterpene, Acid, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

456.360

Molecular Formula

C₃₀H₄₈O₃

SMILES

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

XLogP

9.500

PSA

57.530

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) María del Rayo Camacho-Corona, Juan Manuel de Jesús Favela-Hernández, Omar González-Santiago, Elvira Garza-González, Gloria María Molina-Salinas, Salvador Said-Fernández, Guillermo Delgado, Julieta Luna-Herrerae.Evaluation of Some Plant-derived Secondary Metabolites Against Sensitive and Multidrug-resistant Mycobacterium tuberculosis.J. Mex. Chem. Soc. 2009, 53(2), 71-75

Curator

Record - 20 of 380 [TOP]

Compound ID

1401

Compound Structure

Plant Source

Celaenodendron mexicanum Common Name:

Source Family

Euphorbiaceae

Origin

Mexico

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.06 µg/ml), Ethambutol (2 µg/ml), Rifampin (0.06 µg/ml), Streptomycin (0.50 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

3 - Oxo - 7, 24Z - Dien - Tirucalla - 26 - Oic Acid

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Terpene, Nortriterpene, ketone, Acid

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

454.345

Molecular Formula

C₃₀H₄₆O₃

SMILES

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

XLogP

8.893

PSA

54.370

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 21 of 380 [TOP]

Compound ID

1402

Compound Structure

Plant Source

Celaenodendron mexicanum Common Name:

Source Family

Euphorbiaceae

Origin

Mexico

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis (345)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (3.125 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

3α - Hydroxy - 7, 24Z - Dien - Tirucalla - 26 - Oic Acid

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Terpene, Nortriterpene, Acid, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

456.360

Molecular Formula

C₃₀H₄₈O₃

SMILES

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

XLogP

9.500

PSA

57.530

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)

Curator

Record - 22 of 380 [TOP]

Compound ID

1403

Compound Structure

Plant Source

Celaenodendron mexicanum Common Name:

Source Family

Euphorbiaceae

Origin

Mexico

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis (345)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (3.125 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin(< 50 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

3 - Oxo - 7, 24Z - Dien - Tirucalla - 26 - Oic Acid

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Terpene, Nortriterpene, ketone, Acid

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

454.345

Molecular Formula

C₃₀H₄₆O₃

SMILES

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

XLogP

8.893

PSA

54.370

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 23 of 380 [TOP]

Compound ID

1404

Compound Structure

Plant Source

Celaenodendron mexicanum Common Name:

Source Family

Euphorbiaceae

Origin

Mexico

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis (M12)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (12.50 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

3α - Hydroxy - 7, 24Z - Dien - Tirucalla - 26 - Oic Acid

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Terpene, Nortriterpene, Acid, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

456.360

Molecular Formula

C₃₀H₄₈O₃

SMILES

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

XLogP

9.500

PSA

57.530

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)

Curator

Record - 24 of 380 [TOP]

Compound ID

1405

Compound Structure

Plant Source

Celaenodendron mexicanum Common Name:

Source Family

Euphorbiaceae

Origin

Mexico

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis (M12)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (12.50 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

3 - Oxo - 7, 24Z - Dien - Tirucalla - 26 - Oic Acid

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Terpene, Nortriterpene, ketone, Acid

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

454.345

Molecular Formula

C₃₀H₄₆O₃

SMILES

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

XLogP

8.893

PSA

54.370

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 25 of 380 [TOP]

Compound ID

1406

Compound Structure

Plant Source

Celaenodendron mexicanum Common Name:

Source Family

Euphorbiaceae

Origin

Mexico

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis (M20)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (25 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

3α - Hydroxy - 7, 24Z - Dien - Tirucalla - 26 - Oic Acid

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Terpene, Nortriterpene, Acid, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

456.360

Molecular Formula

C₃₀H₄₈O₃

SMILES

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

XLogP

9.500

PSA

57.530

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)

Curator

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