BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 1 Record - 1 of 18 [TOP]

Compound ID

1931

Compound Structure

Plant Source

Ipomoea leptophylla Common Name:Bush Morning Glory, Manroot

Source Family

Convolvulaceae

Origin

North America

Plant Part Used

Leaf

Extract

Soluble extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

BACTEC 460 radiometric system

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

NR (inactive)

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Operculinic acid

PubChem ID

44584575

Ethnomedicinal Information

Treatment for stomach troubles, tuberculosis

PubMed ID [Source Literature]

14640518

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aliphatic, Fatty acid, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

1018.520

Molecular Formula

C₄₆H₈₂O₂₄

SMILES

O([C@@H]1O[C@H]([C@H](O[C@@H]2O[C@H]([C@H](O)[C@@H](O)[C@H]2O)C)[C@@H](O)[C@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)C)[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O[C@H]1C)O[C@@H]1[C@@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CCCCCCCCCC(=O)O)CCCCC)C

XLogP

1.041

PSA

372.360

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) Barnes CC, Smalley MK, Manfredi KP, Kindscher K, Loring H, Sheeley DM.Characterization of an anti-tuberculosis resin glycoside from the prairie medicinal plant Ipomoea leptophylla.J Nat Prod. 2003 Nov;66(11):1457-62

Curator

Record - 2 of 18 [TOP]

Compound ID

1934

Compound Structure

Plant Source

Ipomoea leptophylla Common Name:Bush Morning Glory, Manroot

Source Family

Convolvulaceae

Origin

North America

Plant Part Used

Leaf

Extract

Soluble extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

BACTEC 460 radiometric system

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Lauric acid

PubChem ID

3893

Ethnomedicinal Information

Treatment for stomach troubles, tuberculosis

PubMed ID [Source Literature]

14640518

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aliphatic, Fatty acid

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

200.178

Molecular Formula

C₁₂H₂₄O₂

SMILES

OC(=O)CCCCCCCCCCC

XLogP

5.294

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)

Curator

Record - 3 of 18 [TOP]

Compound ID

2306

Compound Structure

Plant Source

Pelargonium reniforme Common Name:

Source Family

Geraniaceae

Origin

Africa

Plant Part Used

Tuber

Extract

N - hexane

Target Bacteria

Mycobacterium aurum

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Linoleic Acid

PubChem ID

5280450

Ethnomedicinal Information

Tuberculosis, coughs

PubMed ID [Source Literature]

15194133

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aliphatic, Alkene, Fatty acid

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

280.240

Molecular Formula

C₁₈H₃₂O₂

SMILES

OC(=O)CCCCCCC/C=CC/C=CCCCCC

XLogP

7.865

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) Seidel V, Taylor PW. In vitro activity of extracts and constituents of Pelagonium against rapidly growing mycobacteria. Int J Antimicrob Agents. 2004, Jun;23(6):613-9

Curator

Record - 4 of 18 [TOP]

Compound ID

2415

Compound Structure

Plant Source

Polyalthia cerasoides (Roxb.) Benth. ex Bedd Common Name:

Source Family

Annonaceae

Origin

Thailand

Plant Part Used

Root

Extract

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.05 µg/ml), Kanamycin (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

Octadeca - 9, 11, 13 - Triynoic Acid

PubChem ID

11778027

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

17845001

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aliphatic, Alkyne, Fatty acid

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

272.178

Molecular Formula

C₁₈H₂₄O₂

SMILES

OC(=O)CCCCCCCC#CC#CC#CCCCC

XLogP

6.542

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) Kanokmedhakul S, Kanokmedhakul K, Lekphrom R.Bioactive constituents of the roots of Polyalthia cerasoides.J Nat Prod. 2007 Sep;70(9):1536-8

Curator

Record - 5 of 18 [TOP]

Compound ID

2578

Compound Structure

Plant Source

Scleropyrum pentandrum Common Name:

Source Family

Santalaceae

Origin

India, Malaysia, Philippines, Singapore, Sri Lanka

Plant Part Used

Twig

Extract

Hexane

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.004 µg/ml), Isoniazid (0.06 µg/ml), Kanamycin sulphate (2.5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Scleropyric acid

PubChem ID

11594149

Ethnomedicinal Information

Malaria, tuberculosis

PubMed ID [Source Literature]

16204994

Extract Preparation

The pulverized, dry twigs (1.06 kg) were extracted successively with n - Hexane, CHCl₃ and MeOH in a soxhlet extraction apparatus to yield the hexane (7.12 g), CHCl₃ (3.50 g), and MeOH (12.42 g) extracts, respectively

Chemical Classification [Active Compound]

Aliphatic, Alkene, Alkyne, Fatty acid

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

264.209

Molecular Formula

C₁₇H₂₈O₂

SMILES

OC(=O)CCCCCCCCCCC#CCCC=C

XLogP

6.563

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) Suksamrarn A, Buaprom M, Udtip S, Nuntawong N, Haritakun R, Kanokmedhakul S.Antimycobacterial and antiplasmodial unsaturated carboxylic acid from the twigs of Scleropyrum wallichianum.Chem Pharm Bull (Tokyo). 2005 Oct;53(10):1327-9

Curator

Record - 6 of 18 [TOP]

Compound ID

3607

Compound Structure

Plant Source

Humulus lupulus Common Name:

Source Family

Cannabaceae

Origin

Plant Part Used

Whole plant

Extract

Hexane

Target Bacteria

Mycobacterium aurum (Pasteur Institute 104482)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (1 µg/ml), Isoniazid (2 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

8 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Linoleic acid

PubChem ID

5280450

Ethnomedicinal Information

PubMed ID [Source Literature]

15478197

Extract Preparation

Chemical Classification [Active Compound]

Aliphatic, Alkene, Fatty acid

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

280.240

Molecular Formula

C₁₈H₃₂O₂

SMILES

OC(=O)CCCCCCC/C=CC/C=CCCCCC

XLogP

7.865

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) Stavri M, Schneider R, O'Donnell G, Lechner D, Bucar F, Gibbons S.The antimycobacterial components of hops (Humulus lupulus) and their dereplication.Phytother Res. 2004 Sep;18(9):774-6

Curator

Gppreetha, vikramjitmandal

Record - 7 of 18 [TOP]

Compound ID

3608

Compound Structure

Plant Source

Humulus lupulus Common Name:

Source Family

Cannabaceae

Origin

Plant Part Used

Whole plant

Extract

Hexane

Target Bacteria

Mycobacterium fortuitum (ATCC 6841)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (4 µg/ml), Isoniazid (0.5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

4 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Linoleic acid

PubChem ID

5280450

Ethnomedicinal Information

PubMed ID [Source Literature]

15478197

Extract Preparation

Chemical Classification [Active Compound]

Aliphatic, Alkene, Fatty acid

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

280.240

Molecular Formula

C₁₈H₃₂O₂

SMILES

OC(=O)CCCCCCC/C=CC/C=CCCCCC

XLogP

7.865

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) Stavri M, Schneider R, O'Donnell G, Lechner D, Bucar F, Gibbons S.The antimycobacterial components of hops (Humulus lupulus) and their dereplication.Phytother Res. 2004 Sep;18(9):774-6

Curator

Gppreetha, vikramjitmandal

Record - 8 of 18 [TOP]

Compound ID

3609

Compound Structure

Plant Source

Humulus lupulus Common Name:

Source Family

Cannabaceae

Origin

Plant Part Used

Whole plant

Extract

Hexane

Target Bacteria

Mycobacterium phlei (ATCC 11758)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (2 µg/ml), Isoniazid (2 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

8 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Linoleic acid

PubChem ID

5280450

Ethnomedicinal Information

PubMed ID [Source Literature]

15478197

Extract Preparation

Chemical Classification [Active Compound]

Aliphatic, Alkene, Fatty acid

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

280.240

Molecular Formula

C₁₈H₃₂O₂

SMILES

OC(=O)CCCCCCC/C=CC/C=CCCCCC

XLogP

7.865

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) Stavri M, Schneider R, O'Donnell G, Lechner D, Bucar F, Gibbons S.The antimycobacterial components of hops (Humulus lupulus) and their dereplication.Phytother Res. 2004 Sep;18(9):774-6

Curator

Gppreetha, vikramjitmandal

Record - 9 of 18 [TOP]

Compound ID

3610

Compound Structure

Plant Source

Humulus lupulus Common Name:

Source Family

Cannabaceae

Origin

Plant Part Used

Whole plant

Extract

Hexane

Target Bacteria

Mycobacterium smegmatis (ATCC 14468)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (0.5 µg/ml), Isoniazid (2 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

8 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Linoleic acid

PubChem ID

5280450

Ethnomedicinal Information

PubMed ID [Source Literature]

15478197

Extract Preparation

Chemical Classification [Active Compound]

Aliphatic, Alkene, Fatty acid

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

280.240

Molecular Formula

C₁₈H₃₂O₂

SMILES

OC(=O)CCCCCCC/C=CC/C=CCCCCC

XLogP

7.865

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) Stavri M, Schneider R, O'Donnell G, Lechner D, Bucar F, Gibbons S.The antimycobacterial components of hops (Humulus lupulus) and their dereplication.Phytother Res. 2004 Sep;18(9):774-6

Curator

Gppreetha, vikramjitmandal

Record - 10 of 18 [TOP]

Compound ID

3611

Compound Structure

Plant Source

Humulus lupulus Common Name:

Source Family

Cannabaceae

Origin

Plant Part Used

Whole plant

Extract

Hexane

Target Bacteria

Mycobacterium aurum (Pasteur Institute 104482)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (1 µg/ml), Isoniazid (2 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

8 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Oleic acid

PubChem ID

445639

Ethnomedicinal Information

PubMed ID [Source Literature]

15478197

Extract Preparation

Chemical Classification [Active Compound]

Aliphatic, Alkene, Fatty acid

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

282.256

Molecular Formula

C₁₈H₃₄O₂

SMILES

OC(=O)CCCCCCC/C=CCCCCCCCC

XLogP

8.192

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) Stavri M, Schneider R, O'Donnell G, Lechner D, Bucar F, Gibbons S.The antimycobacterial components of hops (Humulus lupulus) and their dereplication.Phytother Res. 2004 Sep;18(9):774-6

Curator

Gppreetha, vikramjitmandal

Record - 11 of 18 [TOP]

Compound ID

3612

Compound Structure

Plant Source

Humulus lupulus Common Name:

Source Family

Cannabaceae

Origin

Plant Part Used

Whole plant

Extract

Hexane

Target Bacteria

Mycobacterium smegmatis (ATCC 14468)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (0.5 µg/ml), Isoniazid (2 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

8 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Oleic acid

PubChem ID

445639

Ethnomedicinal Information

PubMed ID [Source Literature]

15478197

Extract Preparation

Chemical Classification [Active Compound]

Aliphatic, Alkene, Fatty acid

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

282.256

Molecular Formula

C₁₈H₃₄O₂

SMILES

OC(=O)CCCCCCC/C=CCCCCCCCC

XLogP

8.192

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) Stavri M, Schneider R, O'Donnell G, Lechner D, Bucar F, Gibbons S.The antimycobacterial components of hops (Humulus lupulus) and their dereplication.Phytother Res. 2004 Sep;18(9):774-6

Curator

Gppreetha, vikramjitmandal

Record - 12 of 18 [TOP]

Compound ID

3988

Compound Structure

Plant Source

Polyalthia evecta Common Name:

Source Family

Annonaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

3.1 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

NPMC7a

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Alkyl, Alkyne, Fatty acid, Furanoid

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

360.266

Molecular Formula

C₂₃H₃₆O₃

SMILES

OC(=O)CCCC#CCCCCCCCCCCCCCc1ccco1

XLogP

8.462

PSA

50.440

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

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

2) Rogoza, L. N.; Salakhutdinov, N. F.; Tolstikov, G. A. Anti-tubercular Activity of Natural Products: Recent Developments. In Opportunity, Challenge and Scope of Natural Products in Medicinal Chemistry; Tiwari, V. K. Ed.; Research Signpost: India, 2011; pp 103-120

Curator

Record - 13 of 18 [TOP]

Compound ID

4101

Compound Structure

Plant Source

Exocarpus latifolius Common Name:

Source Family

Santalaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

20 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Exocarpic acid

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Aliphatic, Alkene, Alkyne, Fatty acid

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

274.193

Molecular Formula

C₁₈H₂₆O₂

SMILES

C(CCCCCCC(=O)O)C#CC#C/C=C/CCCC

XLogP

6.906

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

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

Curator

Record - 14 of 18 [TOP]

Compound ID

4102

Compound Structure

Plant Source

Exocarpus latifolius Common Name:

Source Family

Santalaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

EJMC220

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Aliphatic, Alkene, Alkyne, Fatty acid, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

290.188

Molecular Formula

C₁₈H₂₆O₃

SMILES

OC(CCCCCCC(=O)O)C#CC#C/C=C/CCCC

XLogP

5.509

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

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

Curator

Record - 15 of 18 [TOP]

Compound ID

4103

Compound Structure

Plant Source

Exocarpus latifolius Common Name:

Source Family

Santalaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

EJMC221

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Aliphatic, Alkyne, Fatty acid, Monoglyceride

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

348.230

Molecular Formula

C₂₁H₃₂O₄

SMILES

CCCC/C=C/C#CC#CCCCCCCCC(=O)OCC(O)CO

XLogP

5.846

PSA

66.760

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

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

Curator

Record - 16 of 18 [TOP]

Compound ID

4104

Compound Structure

Plant Source

Polyalthia cerasoides Common Name:

Source Family

Annonaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

6.25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

EJMC222

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Aliphatic, Alkyne, Fatty acid

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

286.193

Molecular Formula

C₁₉H₂₆O₂

SMILES

CCCCC#CC#CC#CCCCCCCCCC(=O)O

XLogP

7.111

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

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

Curator

Record - 17 of 18 [TOP]

Compound ID

4118

Compound Structure

Plant Source

Ipomoea tyrianthina Common Name:

Source Family

Convolvulaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv ATCC 27296

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

EJMC240

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Aliphatic, Fatty acid, Acyl, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

1072.567

Molecular Formula

C₅₀H₈₈O₂₄

SMILES

O[C@H]1[C@H](O)[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](OC(=O)C(CC)C)[C@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](OC(=O)C(C)C(O)C)[C@@H](C)O4)[C@H](C)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@H](O[C@@](CCCCC)(O)CCCCCCCCCC(=O)O)O[C@@H]1C

XLogP

2.908

PSA

366.040

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

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

Curator

Record - 18 of 18 [TOP]

Compound ID

4119

Compound Structure

Plant Source

Ipomoea tyrianthina Common Name:

Source Family

Convolvulaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv ATCC 27297

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

EJMC241

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Aliphatic, Fatty acid, Acyl, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

1054.556

Molecular Formula

C₅₀H₈₆O₂₃

SMILES

O[C@H]1[C@H](O)[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](OC(=O)C(CC)C)[C@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](OC(=O)/C(=C/C)/C)[C@@H](C)O4)[C@H](C)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@H](O[C@@](CCCCC)(O)CCCCCCCCCC(=O)O)O[C@@H]1C

XLogP

4.031

PSA

345.810

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

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

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

Curator

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