BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 1 Record - 1 of 4 [TOP]

Compound ID

2414

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

Bidebiline E

PubChem ID

23642920

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

17845001

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Quinoline, Aporphine, Alkaloid

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

584.195

Molecular Formula

C₃₆H₂₈N₂O₆

SMILES

O1c2c3c4c(NCCc4cc2OC1)c(c1c2NCCc4c2c(c2c1cc(OC)cc2)c1OCOc1c4)c1c3ccc(OC)c1

XLogP

4.472

PSA

79.440

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) 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 - 2 of 4 [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 - 3 of 4 [TOP]

Compound ID

2416

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

α - Humulene

PubChem ID

5281520

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

17845001

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Terpene, Sesquiterpene

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

204.188

Molecular Formula

C₁₅H₂₄

SMILES

C1(C/C=C(/CC/C=C(/C/C=C/1)C)C)(C)C

XLogP

5.940

PSA

0.000

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 - 4 of 4 [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

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