BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 5 Record - 1 of 104 [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)

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 104 [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 - 3 of 104 [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 - 4 of 104 [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 - 5 of 104 [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 - 6 of 104 [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 - 7 of 104 [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 - 8 of 104 [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 - 9 of 104 [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 - 10 of 104 [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 - 11 of 104 [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 - 12 of 104 [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 - 13 of 104 [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 - 14 of 104 [TOP]

Compound ID

1413

Compound Structure

Plant Source

Cephaelis dichroa Common Name:

Source Family

Rubiaceae

Origin

Mexico

Plant Part Used

Aerial

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

6.25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Peracetyl - Strictosidine Lactam

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Pentacyclic, Alkaloid, Carbazole, Pyran, Isoquinoline, O-Acetyl, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

650.284

Molecular Formula

C₃₅H₄₂N₂O₁₀

SMILES

C1cccc2c1c1c([nH]2)C2N(CC1)CC1=COC(C(C1C2)C=C)OC1O[C@H]([C@@H]([C@H]([C@@H]1OC(=O)C)CC(=O)C)OC(=O)C)COC(=O)C

XLogP

3.192

PSA

142.690

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) 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 - 15 of 104 [TOP]

Compound ID

1415

Compound Structure

Plant Source

Cephaelis dichroa Common Name:

Source Family

Rubiaceae

Origin

Mexico

Plant Part Used

Aerial

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

Peracetyl - Strictosidine Lactam

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Pentacyclic, Alkaloid, Carbazole, Pyran, Isoquinoline, O-Acetyl, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

650.284

Molecular Formula

C₃₅H₄₂N₂O₁₀

SMILES

C1cccc2c1c1c([nH]2)C2N(CC1)CC1=COC(C(C1C2)C=C)OC1O[C@H]([C@@H]([C@H]([C@@H]1OC(=O)C)CC(=O)C)OC(=O)C)COC(=O)C

XLogP

3.192

PSA

142.690

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 - 16 of 104 [TOP]

Compound ID

1417

Compound Structure

Plant Source

Cephaelis dichroa Common Name:

Source Family

Rubiaceae

Origin

Mexico

Plant Part Used

Aerial

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

Peracetyl - strictosidine lactam

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Pentacyclic, Alkaloid, Carbazole, Pyran, Isoquinoline, O-Acetyl, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

650.284

Molecular Formula

C₃₅H₄₂N₂O₁₀

SMILES

C1cccc2c1c1c([nH]2)C2N(CC1)CC1=COC(C(C1C2)C=C)OC1O[C@H]([C@@H]([C@H]([C@@H]1OC(=O)C)CC(=O)C)OC(=O)C)COC(=O)C

XLogP

3.192

PSA

142.690

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 - 17 of 104 [TOP]

Compound ID

1419

Compound Structure

Plant Source

Cephaelis dichroa Common Name:

Source Family

Rubiaceae

Origin

Mexico

Plant Part Used

Aerial

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

Peracetyl - Strictosidine Lactam

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Pentacyclic, Alkaloid, Carbazole, Pyran, Isoquinoline, O-Acetyl, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

650.284

Molecular Formula

C₃₅H₄₂N₂O₁₀

SMILES

C1cccc2c1c1c([nH]2)C2N(CC1)CC1=COC(C(C1C2)C=C)OC1O[C@H]([C@@H]([C@H]([C@@H]1OC(=O)C)CC(=O)C)OC(=O)C)COC(=O)C

XLogP

3.192

PSA

142.690

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 - 18 of 104 [TOP]

Compound ID

1428

Compound Structure

Plant Source

Chamaedora tepejilote Common Name:Pacaya Palm

Source Family

Arecaceae (Palmae)

Origin

Mexico

Plant Part Used

Leaf

Extract

Hexane

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Radiorespirometric BACTEC Assay

Positive Control Used (conc.)

Inhibition [%]

99 %

Activity [MIC] µg/ml

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ursolic acid

PubChem ID

64945

Ethnomedicinal Information

Cough, Pneumonia

PubMed ID [Source Literature]

16041726

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)(CC[C@H]([C@@H]3C)C)C(=O)O)C)(CC2)C)(CC1)C)(C)C

XLogP

8.954

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) Jiménez A, Meckes M, Alvarez V, Torres J, Parra R. Secondary metabolites from Chamaedora tepejilote (Palmae) are active against Mycobacterium tuberculosis.Phytother Res. 2005 Apr;19(4):320-2

Curator

Record - 19 of 104 [TOP]

Compound ID

1514

Compound Structure

Plant Source

Combretum imberbe Wawra Common Name:Leadwood

Source Family

Combretaceae

Origin

Africa

Plant Part Used

Leaf

Extract

Target Bacteria

Mycobacterium fortuitum

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

1.56 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Imberbic acid

PubChem ID

Ethnomedicinal Information

Combretum species used for chest coughs, fever, infections

PubMed ID [Source Literature]

12657301

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Triterpene, Hydroxy, Acid

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

472.355

Molecular Formula

C₃₀H₄₈O₄

SMILES

C1([C@H]2[C@@]([C@@H]3[C@@](CC2)([C@]2(C(=CC3)[C@H]3[C@@](CC2)(CC[C@](C3)(C(=O)O)C)C)C)C)([C@H](C[C@@H]1O)O)C)(C)C

XLogP

7.389

PSA

77.760

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) Katerere DR, Gray AI, Nash RJ, Waigh RD.Antimicrobial activity of pentacyclic triterpenes isolated from African Combretaceae.Phytochemistry. 2003 May;63(1):81-8

Curator

Record - 20 of 104 [TOP]

Compound ID

2036

Compound Structure

Plant Source

Leyssera gnaphaloides L. Common Name:

Source Family

Asteraceae (Compositae)

Origin

Africa

Plant Part Used

Whole plant

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

Ursolic acid

PubChem ID

64945

Ethnomedicinal Information

Respiratory ailments, tuberculosis

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)(CC[C@H]([C@@H]3C)C)C(=O)O)C)(CC2)C)(CC1)C)(C)C

XLogP

8.954

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 - 21 of 104 [TOP]

Compound ID

2037

Compound Structure

Plant Source

Leyssera gnaphaloides L. Common Name:

Source Family

Asteraceae (Compositae)

Origin

Africa

Plant Part Used

Whole plant

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

Respiratory ailments, tuberculosis

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 - 22 of 104 [TOP]

Compound ID

2038

Compound Structure

Plant Source

Leyssera gnaphaloides L. Common Name:

Source Family

Asteraceae (Compositae)

Origin

Africa

Plant Part Used

Whole plant

Extract

Hexane

Target Bacteria

Mycobacterium tuberculosis H37Rv, 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

Ursolic acid

PubChem ID

64945

Ethnomedicinal Information

Respiratory ailments, tuberculosis

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)(CC[C@H]([C@@H]3C)C)C(=O)O)C)(CC2)C)(CC1)C)(C)C

XLogP

8.954

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 - 23 of 104 [TOP]

Compound ID

2039

Compound Structure

Plant Source

Leyssera gnaphaloides L. Common Name:

Source Family

Asteraceae (Compositae)

Origin

Africa

Plant Part Used

Whole plant

Extract

Hexane

Target Bacteria

Mycobacterium avium (ATCC 25291), 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

Ursolic acid

PubChem ID

64945

Ethnomedicinal Information

Respiratory ailments, tuberculosis

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)(CC[C@H]([C@@H]3C)C)C(=O)O)C)(CC2)C)(CC1)C)(C)C

XLogP

8.954

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 104 [TOP]

Compound ID

2040

Compound Structure

Plant Source

Leyssera gnaphaloides L. Common Name:

Source Family

Asteraceae (Compositae)

Origin

Africa

Plant Part Used

Whole plant

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

Respiratory ailments, tuberculosis

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 - 25 of 104 [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

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