BioPhytMol: A database of Phytomolecules against Mycobacteria

| Home |

Simple Search

Query Builder

Structure Search

Browse |

Similarity

One to One

One to Many

Data Visualization |

Submission |

Page - 1 of 1 Record - 1 of 10 [TOP]

Compound ID

2383

Compound Structure

Plant Source

Piper sarmentosum Roxb. Common Name:Cha Plu

Source Family

Piperaceae

Origin

Probably Southeast Asia, Malaysia

Plant Part Used

Fruit

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Sesamin

PubChem ID

72307

Ethnomedicinal Information

Cough, anti - tuberculosis and anti - plasmodial activities

PubMed ID [Source Literature]

15234750

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Polycyclic, Lignan, Furanoid, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

354.110

Molecular Formula

C₂₀H₁₈O₆

SMILES

O1[C@@H]([C@@H]2[C@@H]([C@H](OC2)c2cc3OCOc3cc2)C1)c1cc2OCOc2cc1

XLogP

2.576

PSA

55.380

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) Rukachaisirikul T, Siriwattanakit P, Sukcharoenphol K, Wongvein C, Ruttanaweang P, Wongwattanavuch P, Suksamrarn A.Chemical constituents and bioactivity of Piper sarmentosum.J Ethnopharmacol. 2004 Aug;93(2-3):173-6

Curator

Record - 2 of 10 [TOP]

Compound ID

2747

Compound Structure

Plant Source

Triclisia patens Common Name:

Source Family

Menispermaceae

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

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Phaeanthine

PubChem ID

73664

Ethnomedicinal Information

Dropsy, swellings, oedema, gout, leprosy, malnutrition, debility, pain - killers, paralysis, epilepsy, convulsions, spasm, pulmonary troubles, sedatives

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Polycyclic, Quinoline, Alkaloid, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

622.304

Molecular Formula

C₃₈H₄₂N₂O₆

SMILES

O1c2c3[C@H](N(CCc3cc(OC)c2OC)C)Cc2cc(Oc3ccc(C[C@H]4N(CCc5c4cc1c(OC)c5)C)cc3)c(OC)cc2

XLogP

6.098

PSA

61.860

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

2) http://plants.jstor.org/upwta/4_253

Curator

Record - 3 of 10 [TOP]

Compound ID

2748

Compound Structure

Plant Source

Triclisia patens Common Name:

Source Family

Menispermaceae

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

Phaeanthine

PubChem ID

73664

Ethnomedicinal Information

Dropsy, swellings, oedema, gout, leprosy, malnutrition, debility, pain - killers, paralysis, epilepsy, convulsions, spasm, pulmonary troubles, sedatives

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Polycyclic, Quinoline, Alkaloid, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

622.304

Molecular Formula

C₃₈H₄₂N₂O₆

SMILES

O1c2c3[C@H](N(CCc3cc(OC)c2OC)C)Cc2cc(Oc3ccc(C[C@H]4N(CCc5c4cc1c(OC)c5)C)cc3)c(OC)cc2

XLogP

6.098

PSA

61.860

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 10 [TOP]

Compound ID

2749

Compound Structure

Plant Source

Triclisia patens Common Name:

Source Family

Menispermaceae

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

Phaeanthine

PubChem ID

73664

Ethnomedicinal Information

Dropsy, swellings, oedema, gout, leprosy, malnutrition, debility, pain - killers, paralysis, epilepsy, convulsions, spasm, pulmonary troubles, sedatives

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Polycyclic, Quinoline, Alkaloid, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

622.304

Molecular Formula

C₃₈H₄₂N₂O₆

SMILES

O1c2c3[C@H](N(CCc3cc(OC)c2OC)C)Cc2cc(Oc3ccc(C[C@H]4N(CCc5c4cc1c(OC)c5)C)cc3)c(OC)cc2

XLogP

6.098

PSA

61.860

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 5 of 10 [TOP]

Compound ID

2750

Compound Structure

Plant Source

Triclisia patens Common Name:

Source Family

Menispermaceae

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

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Phaeanthine

PubChem ID

73664

Ethnomedicinal Information

Dropsy, swellings, oedema, gout, leprosy, malnutrition, debility, pain - killers, paralysis, epilepsy, convulsions, spasm, pulmonary troubles, sedatives

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Polycyclic, Quinoline, Alkaloid, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

622.304

Molecular Formula

C₃₈H₄₂N₂O₆

SMILES

O1c2c3[C@H](N(CCc3cc(OC)c2OC)C)Cc2cc(Oc3ccc(C[C@H]4N(CCc5c4cc1c(OC)c5)C)cc3)c(OC)cc2

XLogP

6.098

PSA

61.860

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 10 [TOP]

Compound ID

3413

Compound Structure

Plant Source

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

Source Family

Solanaceae

Origin

Brazil

Plant Part Used

Aerial

Extract

Chloroform

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.2 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 128 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Physalin B

PubChem ID

5488849

Ethnomedicinal Information

Tumors, gastric troubles, diuretic, earache

PubMed ID [Source Literature]

12203265

Extract Preparation

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

Chemical Classification [Active Compound]

Alicyclic, Polycyclic, Steroid, Lactone, Ketone, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook liquid medium 7H9

Cytotoxicity Assay [AID]

Molecular Weight

510.189

Molecular Formula

C₂₈H₃₀O₉

SMILES

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

XLogP

0.685

PSA

125.430

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

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

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

Curator

Wvarsha, rachanake

Record - 7 of 10 [TOP]

Compound ID

3414

Compound Structure

Plant Source

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

Source Family

Solanaceae

Origin

Brazil

Plant Part Used

Aerial

Extract

Chloroform

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.2 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

32 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Physalin D

PubChem ID

431071

Ethnomedicinal Information

Tumors, gastric troubles, diuretic, earache

PubMed ID [Source Literature]

12203265

Extract Preparation

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

Chemical Classification [Active Compound]

Alicyclic, Polycyclic, Steroid, Lactone, Ketone, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook liquid medium 7H9

Cytotoxicity Assay [AID]

Molecular Weight

544.194

Molecular Formula

C₂₈H₃₂O₁₁

SMILES

O1C23C4C5(CC6OC(=O)C5COC1(C1C(C5(C(O)(C(O)C1)CC=CC5=O)C)CCC2(O)C(=O)OC36C)C4=O)C

XLogP

-0.989

PSA

165.890

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

Wvarsha, rachanake

Record - 8 of 10 [TOP]

Compound ID

3553

Compound Structure

Plant Source

Colubrina retusa (Ditter) Common Name:

Source Family

Rhamnaceae

Origin

Venezuela

Plant Part Used

Stem

Extract

Target Bacteria

Mycobacterium intracellulare (ATCC 23068)

Assay / Test Done

OADC - Supplemented Middlebrook Broth

Positive Control Used (conc.)

Rifampin (0.3 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

10 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Jujubogenin 3 - O - α - L - Arabinofuranosyl (1-->2) - [3 - O - (Trans) - P - Coumaroyl - β - D - Glucopyranosyl (1-->3)] - α - L - Arabinopyranoside

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

10514332

Extract Preparation

Air dried stem were powdered, extracted at 37°C in ethanol, suspended in water and then again extracted with chloroform and then with butanol and finally evaporated to dryness to yield the compound

Chemical Classification [Active Compound]

Alicyclic, Polycyclic, Steroid, Pyran, Cinnamate, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

1044.529

Molecular Formula

C₅₅H₈₀O₁₉

SMILES

C1C[C@@H](C(C2[C@]1(C1[C@@](CC2)(C23C(CC1)C1C(C2)(OC(C[C@@]1(O)C)C=C(C)C)OC3)C)C)(C)C)OC1OC[C@@H]([C@@H]([C@@H]1OC1O[C@@H]([C@@H]([C@@H]1O)O)CO)O[C@@H]1OC([C@@H]([C@@H](C1O)OC(=O)/C=C/c1ccc(cc1)O)O)CO)O

XLogP

5.255

PSA

282.210

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) ElSohly HN, Danner S, Li XC, Nimrod AC, Clark AM.New antimycobacterial saponin from Colubrina retusa.J Nat Prod. 1999 Sep;62(9):1341-2

Curator

Farzana-shamsudeen, vikramjitmandal

Record - 9 of 10 [TOP]

Compound ID

3991

Compound Structure

Plant Source

Embelia Schimperi Common Name:

Source Family

Myrsinaceae

Origin

Plant Part Used

Extract

Target Bacteria

One strain of H37Rv, 21 sensitive clinical strains, two clinical isolates resistant to isoniazid, and 13 MDR clinical strains

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

200 µg/ml (inactive)

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Protoprimulagenin A

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Polycyclic, Terpene,Triterpene, Furanoid, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

458.376

Molecular Formula

C₃₀H₅₀O₃

SMILES

CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2CC[C@@]23OC[C@@]4([C@@H](C[C@@]12C)O)C3CC(C)(C)CC4

XLogP

8.018

PSA

49.690

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) 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 - 10 of 10 [TOP]

Compound ID

4043

Compound Structure

Plant Source

Clausena harmandiana Common Name:

Source Family

Rutaceae

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

Hirsutellone F

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Polycyclic, Dimeric, Alkaloid

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

890.451

Molecular Formula

C₅₆H₆₂N₂O₈

SMILES

C=C[C@H]1C=C[C@H]2[C@H]3[C@@H](CC[C@@H](C)C3)[C@@H]3Oc4ccc(C[C@@]5(O)[C@@H](N6C(=O)[C@H]7Cc8ccc(cc8)O[C@@H]8[C@@H]9[C@@H](C(=O)C7C6=O)[C@H](C=CC9[C@H]6[C@H]8CC[C@H](C6)C)C=C)[C@H](C(=O)N5)C(=O)[C@@H]1[C@H]23)cc4

XLogP

9.483

PSA

139.310

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

Developed by: CSIR- OSDD Unit, Delhi, India and Hosted by: Bioinformatics Centre, Institute of Microbial Technology, Sec-39A, Chandigarh, India.
The website has been tested on the latest version of Google Chrome (34.0.1847.137 m) and Mozilla Firefox (29.0.1)