BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 1 Record - 1 of 21 [TOP]

Compound ID

3613

Compound Structure

Plant Source

Piper sanctum (Miq.) Schl. Common Name:

Source Family

Piperaceae

Origin

Southcentral region of Mexico

Plant Part Used

Leaf

Extract

Dichloromethane:Methanol (1:1)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.25 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

Not tested

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

2 - Oxo - 14 - (3, 4 - Methylenedioxyphenyl) - Trans - 13 - Tetradecene

PubChem ID

11324984

Ethnomedicinal Information

PubMed ID [Source Literature]

15620234

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Ketone, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against Vero cells (ATCCCCL- 81) in the CellTiter 96 aqueous nonradioactive cell proliferation assay

Molecular Weight

330.219

Molecular Formula

C₂₁H₃₀O₃

SMILES

O=C(CCCCCCCCCC/C=C/c1cc2OCOc2cc1)C

XLogP

7.227

PSA

35.530

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) Mata R, Morales I, Pérez O, Rivero-Cruz I, Acevedo L, Enriquez-Mendoza I, Bye R, Franzblau S, Timmermann B.Antimycobacterial compounds from Piper sanctum.J Nat Prod. 2004 Dec;67(12):1961-8

Curator

Rachana, Keyamukherjee, vikramjitmandal

Record - 2 of 21 [TOP]

Compound ID

3614

Compound Structure

Plant Source

Piper sanctum (Miq.) Schl. Common Name:

Source Family

Piperaceae

Origin

Southcentral region of Mexico

Plant Part Used

Leaf

Extract

Dichloromethane:Methanol (1:1)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.25 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

32 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

2 - Oxo - 16 - (3, 4 - Methylenedioxyphenyl) - Trans - 15 - Hexadecene

PubChem ID

5273613

Ethnomedicinal Information

PubMed ID [Source Literature]

15620234

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Ketone, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against Vero cells (ATCCCCL- 81) in the CellTiter 96 aqueous nonradioactive cell proliferation assay

Molecular Weight

358.251

Molecular Formula

C₂₃H₃₄O₃

SMILES

O=C(CCCCCCCCCCCC/C=C/c1cc2OCOc2cc1)C

XLogP

8.365

PSA

35.530

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) Mata R, Morales I, Pérez O, Rivero-Cruz I, Acevedo L, Enriquez-Mendoza I, Bye R, Franzblau S, Timmermann B.Antimycobacterial compounds from Piper sanctum.J Nat Prod. 2004 Dec;67(12):1961-8

Curator

Rachana, Keyamukherjee, vikramjitmandal

Record - 3 of 21 [TOP]

Compound ID

3615

Compound Structure

Plant Source

Piper sanctum (Miq.) Schl. Common Name:

Source Family

Piperaceae

Origin

Southcentral region of Mexico

Plant Part Used

Leaf

Extract

Dichloromethane:Methanol (1:1)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.25 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

32 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

2 - Oxo - 18 - (3, 4 - Methylenedioxyphenyl) - Trans - 17 - Octadecene

PubChem ID

11372596

Ethnomedicinal Information

PubMed ID [Source Literature]

15620234

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Ketone, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against Vero cells (ATCCCCL- 81) in the CellTiter 96 aqueous nonradioactive cell proliferation assay

Molecular Weight

386.282

Molecular Formula

C₂₅H₃₈O₃

SMILES

O=C(CCCCCCCCCCCCCC/C=C/c1cc2OCOc2cc1)C

XLogP

9.503

PSA

35.530

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) Mata R, Morales I, Pérez O, Rivero-Cruz I, Acevedo L, Enriquez-Mendoza I, Bye R, Franzblau S, Timmermann B.Antimycobacterial compounds from Piper sanctum.J Nat Prod. 2004 Dec;67(12):1961-8

Curator

Rachana, Keyamukherjee, vikramjitmandal

Record - 4 of 21 [TOP]

Compound ID

3616

Compound Structure

Plant Source

Piper sanctum (Miq.) Schl. Common Name:

Source Family

Piperaceae

Origin

Southcentral region of Mexico

Plant Part Used

Leaf

Extract

Dichloromethane:Methanol (1:1)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.25 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 128 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

2 - Oxo - 16 - Phenyl - Trans - 3 - Hexadecene

PubChem ID

5273614

Ethnomedicinal Information

PubMed ID [Source Literature]

15620234

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Alkyl, Alkene, Ketone

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against Vero cells (ATCCCCL- 81) in the CellTiter 96 aqueous nonradioactive cell proliferation assay

Molecular Weight

314.261

Molecular Formula

C₂₂H₃₄O

SMILES

O=C(/C=C/CCCCCCCCCCCCc1ccccc1)C

XLogP

10.628

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)

1) Mata R, Morales I, Pérez O, Rivero-Cruz I, Acevedo L, Enriquez-Mendoza I, Bye R, Franzblau S, Timmermann B.Antimycobacterial compounds from Piper sanctum.J Nat Prod. 2004 Dec;67(12):1961-8

Curator

Rachana, Keyamukherjee, vikramjitmandal

Record - 5 of 21 [TOP]

Compound ID

3617

Compound Structure

Plant Source

Piper sanctum (Miq.) Schl. Common Name:

Source Family

Piperaceae

Origin

Southcentral region of Mexico

Plant Part Used

Leaf

Extract

Dichloromethane:Methanol (1:1)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.25 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 128 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Methyl [6 - (10 - Phenyldecanyl) Tetrahydropyran - 2 - Yl] Acetate

PubChem ID

5273615

Ethnomedicinal Information

PubMed ID [Source Literature]

15620234

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Alkyl, Pyran, Ester

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against Vero cells (ATCCCCL- 81) in the CellTiter 96 aqueous nonradioactive cell proliferation assay

Molecular Weight

374.282

Molecular Formula

C₂₄H₃₈O₃

SMILES

O1C(CCCC1CC(=O)OC)CCCCCCCCCCc1ccccc1

XLogP

9.628

PSA

35.530

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) Mata R, Morales I, Pérez O, Rivero-Cruz I, Acevedo L, Enriquez-Mendoza I, Bye R, Franzblau S, Timmermann B.Antimycobacterial compounds from Piper sanctum.J Nat Prod. 2004 Dec;67(12):1961-8

Curator

Rachana, Keyamukherjee, vikramjitmandal

Record - 6 of 21 [TOP]

Compound ID

3618

Compound Structure

Plant Source

Piper sanctum (Miq.) Schl. Common Name:

Source Family

Piperaceae

Origin

Southcentral region of Mexico

Plant Part Used

Leaf

Extract

Dichloromethane:Methanol (1:1)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.25 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 128 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Methyl 2 - (6 - Tridecyltetrahydro - 2H - Pyran - 2 - Yl) Acetate

PubChem ID

5273616

Ethnomedicinal Information

PubMed ID [Source Literature]

15620234

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Pyran, Ester

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against Vero cells (ATCCCCL- 81) in the CellTiter 96 aqueous nonradioactive cell proliferation assay

Molecular Weight

340.298

Molecular Formula

C₂₁H₄₀O₃

SMILES

O1C(CCCC1CC(=O)OC)CCCCCCCCCCCCC

XLogP

7.859

PSA

35.530

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) Mata R, Morales I, Pérez O, Rivero-Cruz I, Acevedo L, Enriquez-Mendoza I, Bye R, Franzblau S, Timmermann B.Antimycobacterial compounds from Piper sanctum.J Nat Prod. 2004 Dec;67(12):1961-8

Curator

Rachana, Keyamukherjee, vikramjitmandal

Record - 7 of 21 [TOP]

Compound ID

3619

Compound Structure

Plant Source

Piper sanctum (Miq.) Schl. Common Name:

Source Family

Piperaceae

Origin

Southcentral region of Mexico

Plant Part Used

Leaf

Extract

Dichloromethane:Methanol (1:1)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.25 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 128 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Methyl 2 - (5 - Tetradecyltetrahydro - 2 - Furanyl) Acetate

PubChem ID

5273617

Ethnomedicinal Information

PubMed ID [Source Literature]

15620234

Extract Preparation

Chemical Classification [Active Compound]

Alkylated Furan, Ester, Alicyclic

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against Vero cells (ATCCCCL- 81) in the CellTiter 96 aqueous nonradioactive cell proliferation assay

Molecular Weight

340.298

Molecular Formula

C₂₁H₄₀O₃

SMILES

O1C(CCC1CC(=O)OC)CCCCCCCCCCCCCC

XLogP

8.070

PSA

35.530

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) Mata R, Morales I, Pérez O, Rivero-Cruz I, Acevedo L, Enriquez-Mendoza I, Bye R, Franzblau S, Timmermann B.Antimycobacterial compounds from Piper sanctum.J Nat Prod. 2004 Dec;67(12):1961-8

Curator

Rachana, Keyamukherjee, vikramjitmandal

Record - 8 of 21 [TOP]

Compound ID

3620

Compound Structure

Plant Source

Piper sanctum (Miq.) Schl. Common Name:

Source Family

Piperaceae

Origin

Southcentral region of Mexico

Plant Part Used

Leaf

Extract

Dichloromethane:Methanol (1:1)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.25 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 128 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

2 - Oxo - 14 - (3, 4 - Methylenedioxyphenyl) - Trans - 3 - Tetradecene

PubChem ID

11739016

Ethnomedicinal Information

PubMed ID [Source Literature]

15620234

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Ketone, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against Vero cells (ATCCCCL- 81) in the CellTiter 96 aqueous nonradioactive cell proliferation assay

Molecular Weight

330.219

Molecular Formula

C₂₁H₃₀O₃

SMILES

O1c2cc(CCCCCCCCCC/C=C/C(=O)C)ccc2OC1

XLogP

7.263

PSA

35.530

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) Mata R, Morales I, Pérez O, Rivero-Cruz I, Acevedo L, Enriquez-Mendoza I, Bye R, Franzblau S, Timmermann B.Antimycobacterial compounds from Piper sanctum.J Nat Prod. 2004 Dec;67(12):1961-8

Curator

Rachana, Keyamukherjee, vikramjitmandal

Record - 9 of 21 [TOP]

Compound ID

3621

Compound Structure

Plant Source

Piper sanctum (Miq.) Schl. Common Name:

Source Family

Piperaceae

Origin

Southcentral region of Mexico

Plant Part Used

Leaf

Extract

Dichloromethane:Methanol (1:1)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.25 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 128 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

2 - Oxo - 16 - (3', 4' - Methyl) - Trans - 3 - Hexadecene

PubChem ID

11371787

Ethnomedicinal Information

PubMed ID [Source Literature]

15620234

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Ketone, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against Vero cells (ATCCCCL- 81) in the CellTiter 96 aqueous nonradioactive cell proliferation assay

Molecular Weight

358.251

Molecular Formula

C₂₃H₃₄O₃

SMILES

O1c2cc(CCCCCCCCCCCC/C=C/C(=O)C)ccc2OC1

XLogP

8.401

PSA

35.530

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) Mata R, Morales I, Pérez O, Rivero-Cruz I, Acevedo L, Enriquez-Mendoza I, Bye R, Franzblau S, Timmermann B.Antimycobacterial compounds from Piper sanctum.J Nat Prod. 2004 Dec;67(12):1961-8

Curator

Rachana, Keyamukherjee, vikramjitmandal

Record - 10 of 21 [TOP]

Compound ID

3622

Compound Structure

Plant Source

Piper sanctum (Miq.) Schl. Common Name:

Source Family

Piperaceae

Origin

Southcentral region of Mexico

Plant Part Used

Leaf

Extract

Dichloromethane:Methanol (1:1)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.25 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 128 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

2 - Oxo - 16 - Phenyl - 3 - Hexadecane

PubChem ID

5273620

Ethnomedicinal Information

PubMed ID [Source Literature]

15620234

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Alkyl, Alkene, Ketone

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against Vero cells (ATCCCCL- 81) in the CellTiter 96 aqueous nonradioactive cell proliferation assay

Molecular Weight

316.277

Molecular Formula

C₂₂H₃₆O

SMILES

O=C(CCCCCCCCCCCCCCc1ccccc1)C

XLogP

10.742

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)

1) Mata R, Morales I, Pérez O, Rivero-Cruz I, Acevedo L, Enriquez-Mendoza I, Bye R, Franzblau S, Timmermann B.Antimycobacterial compounds from Piper sanctum.J Nat Prod. 2004 Dec;67(12):1961-8

Curator

Rachana, Keyamukherjee, vikramjitmandal

Record - 11 of 21 [TOP]

Compound ID

3624

Compound Structure

Plant Source

Piper sanctum (Miq.) Schl. Common Name:

Source Family

Piperaceae

Origin

Southcentral region of Mexico

Plant Part Used

Leaf

Extract

Dichloromethane:Methanol (1:1)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.25 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 128 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

P-Eugenol

PubChem ID

3314

Ethnomedicinal Information

PubMed ID [Source Literature]

15620234

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Alkene, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against Vero cells (ATCCCCL- 81) in the CellTiter 96 aqueous nonradioactive cell proliferation assay

Molecular Weight

164.084

Molecular Formula

C₁₀H₁₂O₂

SMILES

O(c1cc(CC=C)ccc1O)C

XLogP

2.484

PSA

29.460

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) Mata R, Morales I, Pérez O, Rivero-Cruz I, Acevedo L, Enriquez-Mendoza I, Bye R, Franzblau S, Timmermann B.Antimycobacterial compounds from Piper sanctum.J Nat Prod. 2004 Dec;67(12):1961-8

Curator

Rachana, Keyamukherjee, vikramjitmandal

Record - 12 of 21 [TOP]

Compound ID

3625

Compound Structure

Plant Source

Piper sanctum (Miq.) Schl. Common Name:

Source Family

Piperaceae

Origin

Southcentral region of Mexico

Plant Part Used

Leaf

Extract

Dichloromethane:Methanol (1:1)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.25 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

64 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Z - Piperolide

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15620234

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Phenylpropanoid, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against Vero cells (ATCCCCL- 81) in the CellTiter 96 aqueous nonradioactive cell proliferation assay

Molecular Weight

260.105

Molecular Formula

C₁₅H₁₆O₄

SMILES

O1/C(=C(/C=C/c2ccccc2)\OC)/C(CC1=O)OC

XLogP

4.339

PSA

44.760

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) Mata R, Morales I, Pérez O, Rivero-Cruz I, Acevedo L, Enriquez-Mendoza I, Bye R, Franzblau S, Timmermann B.Antimycobacterial compounds from Piper sanctum.J Nat Prod. 2004 Dec;67(12):1961-8

Curator

Rachana, Keyamukherjee, vikramjitmandal

Record - 13 of 21 [TOP]

Compound ID

3626

Compound Structure

Plant Source

Piper sanctum (Miq.) Schl. Common Name:

Source Family

Piperaceae

Origin

Southcentral region of Mexico

Plant Part Used

Leaf

Extract

Dichloromethane:Methanol (1:1)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.25 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

32 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Demethoxyyangonin

PubChem ID

5273621

Ethnomedicinal Information

PubMed ID [Source Literature]

15620234

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Kavalactone, Lactone, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against Vero cells (ATCCCCL- 81) in the CellTiter 96 aqueous nonradioactive cell proliferation assay

Molecular Weight

228.079

Molecular Formula

C₁₄H₁₂O₃

SMILES

O1c(/C=C/c2ccccc2)cc(OC)cc1=O

XLogP

5.399

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)

1) Mata R, Morales I, Pérez O, Rivero-Cruz I, Acevedo L, Enriquez-Mendoza I, Bye R, Franzblau S, Timmermann B.Antimycobacterial compounds from Piper sanctum.J Nat Prod. 2004 Dec;67(12):1961-8

Curator

Rachana, Keyamukherjee, vikramjitmandal

Record - 14 of 21 [TOP]

Compound ID

3627

Compound Structure

Plant Source

Piper sanctum (Miq.) Schl. Common Name:

Source Family

Piperaceae

Origin

Southcentral region of Mexico

Plant Part Used

Leaf

Extract

Dichloromethane:Methanol (1:1)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.25 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

12 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Cepharanone B

PubChem ID

162739

Ethnomedicinal Information

PubMed ID [Source Literature]

15620234

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Phenanthrene, Amide, Ether,

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against Vero cells (ATCCCCL- 81) in the CellTiter 96 aqueous nonradioactive cell proliferation assay

Molecular Weight

279.090

Molecular Formula

C₁₇H₁₃NO₃

SMILES

O(c1c2c3c([nH]c(=O)c3cc1OC)cc1c2cccc1)C

XLogP

3.379

PSA

47.560

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) Mata R, Morales I, Pérez O, Rivero-Cruz I, Acevedo L, Enriquez-Mendoza I, Bye R, Franzblau S, Timmermann B.Antimycobacterial compounds from Piper sanctum.J Nat Prod. 2004 Dec;67(12):1961-8

Curator

Rachana, Keyamukherjee, vikramjitmandal

Record - 15 of 21 [TOP]

Compound ID

3628

Compound Structure

Plant Source

Piper sanctum (Miq.) Schl. Common Name:

Source Family

Piperaceae

Origin

Southcentral region of Mexico

Plant Part Used

Stem

Extract

Dichloromethane:Methanol (1:1)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.25 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

32 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Cepharadione B

PubChem ID

189151

Ethnomedicinal Information

PubMed ID [Source Literature]

15620234

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Quinoline, Quinone, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against Vero cells (ATCCCCL- 81) in the CellTiter 96 aqueous nonradioactive cell proliferation assay

Molecular Weight

321.100

Molecular Formula

C₁₉H₁₅NO₄

SMILES

O(c1c2c3c(n(c(=O)c(=O)c3cc1OC)C)cc1c2cccc1)C

XLogP

3.175

PSA

55.840

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) Mata R, Morales I, Pérez O, Rivero-Cruz I, Acevedo L, Enriquez-Mendoza I, Bye R, Franzblau S, Timmermann B.Antimycobacterial compounds from Piper sanctum.J Nat Prod. 2004 Dec;67(12):1961-8

Curator

Rachana, Keyamukherjee, vikramjitmandal

Record - 16 of 21 [TOP]

Compound ID

3629

Compound Structure

Plant Source

Piper sanctum (Miq.) Schl. Common Name:

Source Family

Piperaceae

Origin

Southcentral region of Mexico

Plant Part Used

Stem

Extract

Dichloromethane:Methanol (1:1)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.25 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

128 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

N - Trans - Feruloyltyramine

PubChem ID

5280537

Ethnomedicinal Information

PubMed ID [Source Literature]

15620234

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Phenylpropanoid, Amide, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against Vero cells (ATCCCCL- 81) in the CellTiter 96 aqueous nonradioactive cell proliferation assay

Molecular Weight

313.131

Molecular Formula

C₁₈H₁₉NO₄

SMILES

O(c1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O)C

XLogP

2.691

PSA

78.790

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) Mata R, Morales I, Pérez O, Rivero-Cruz I, Acevedo L, Enriquez-Mendoza I, Bye R, Franzblau S, Timmermann B.Antimycobacterial compounds from Piper sanctum.J Nat Prod. 2004 Dec;67(12):1961-8

Curator

Rachana, Keyamukherjee, vikramjitmandal

Record - 17 of 21 [TOP]

Compound ID

3630

Compound Structure

Plant Source

Piper sanctum (Miq.) Schl. Common Name:

Source Family

Piperaceae

Origin

Southcentral region of Mexico

Plant Part Used

Stem

Extract

Dichloromethane:Methanol (1:1)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.25 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

32 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

N-trans-(p-coumaroyl)tyramine

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15620234

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Phenylpropanoid, Amide, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against Vero cells (ATCCCCL- 81) in the CellTiter 96 aqueous nonradioactive cell proliferation assay

Molecular Weight

283.121

Molecular Formula

C₁₇H₁₇NO₃

SMILES

C1c(ccc(c1)/C=C/C(=O)NCCc1ccc(cc1)O)O

XLogP

3.346

PSA

69.560

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) Mata R, Morales I, Pérez O, Rivero-Cruz I, Acevedo L, Enriquez-Mendoza I, Bye R, Franzblau S, Timmermann B.Antimycobacterial compounds from Piper sanctum.J Nat Prod. 2004 Dec;67(12):1961-8

Curator

Rachana, Keyamukherjee, vikramjitmandal

Record - 18 of 21 [TOP]

Compound ID

3631

Compound Structure

Plant Source

Piper sanctum (Miq.) Schl. Common Name:

Source Family

Piperaceae

Origin

Southcentral region of Mexico

Plant Part Used

Stem

Extract

Dichloromethane:Methanol (1:1)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.25 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

2 - Oxo - 14 - (3, 4 - Methylenedioxyphenyl) Tetradecane

PubChem ID

11325048

Ethnomedicinal Information

PubMed ID [Source Literature]

15620234

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Ketone, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against Vero cells (ATCCCCL- 81) in the CellTiter 96 aqueous nonradioactive cell proliferation assay

Molecular Weight

332.235

Molecular Formula

C₂₁H₃₂O₃

SMILES

O1c2cc(CCCCCCCCCCCCC(=O)C)ccc2OC1

XLogP

7.377

PSA

35.530

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) Mata R, Morales I, Pérez O, Rivero-Cruz I, Acevedo L, Enriquez-Mendoza I, Bye R, Franzblau S, Timmermann B.Antimycobacterial compounds from Piper sanctum.J Nat Prod. 2004 Dec;67(12):1961-8

Curator

Rachana, Keyamukherjee, vikramjitmandal

Record - 19 of 21 [TOP]

Compound ID

3632

Compound Structure

Plant Source

Piper sanctum (Miq.) Schl. Common Name:

Source Family

Piperaceae

Origin

Southcentral region of Mexico

Plant Part Used

Leaf

Extract

Dichloromethane:Methanol (1:1)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.25 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

2 - Oxo - 16 - (3', 4' - Methylenedioxyphenyl) Hexadecane

PubChem ID

5273612

Ethnomedicinal Information

PubMed ID [Source Literature]

15620234

Extract Preparation

Leaves (1 kg) and stems (2.95 kg) of Piper sanctum were separately air - dried, ground and extracted by maceration with a mixture of CH₂Cl₂ - MeOH, 1:1 (12 l x 5, respectively), at room temperature. The extracts were concentrated in vacuo to yield 162.4 and 95 g of dry residues, respectively

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Ketone, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against Vero cells (ATCCCCL- 81) in the CellTiter 96 aqueous nonradioactive cell proliferation assay

Molecular Weight

360.266

Molecular Formula

C₂₃H₃₆O₃

SMILES

O1c2cc(CCCCCCCCCCCCCCC(=O)C)ccc2OC1

XLogP

8.515

PSA

35.530

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) Mata R, Morales I, Pérez O, Rivero-Cruz I, Acevedo L, Enriquez-Mendoza I, Bye R, Franzblau S, Timmermann B.Antimycobacterial compounds from Piper sanctum.J Nat Prod. 2004 Dec;67(12):1961-8

Curator

Rachana, Keyamukherjee, vikramjitmandal

Record - 20 of 21 [TOP]

Compound ID

3633

Compound Structure

Plant Source

Piper sanctum (Miq.) Schl. Common Name:

Source Family

Piperaceae

Origin

Southcentral region of Mexico

Plant Part Used

Leaf

Extract

Dichloromethane:Methanol (1:1)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.25 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

4 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

5, 6 - Dehydro - 7, 8 - Dihydromethysticin

PubChem ID

5273622

Ethnomedicinal Information

PubMed ID [Source Literature]

15620234

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Lactone, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against Vero cells (ATCCCCL- 81) in the CellTiter 96 aqueous nonradioactive cell proliferation assay

Molecular Weight

274.084

Molecular Formula

C₁₅H₁₄O₅

SMILES

O1c2cc(CCc3oc(=O)cc(OC)c3)ccc2OC1

XLogP

2.920

PSA

44.760

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) Mata R, Morales I, Pérez O, Rivero-Cruz I, Acevedo L, Enriquez-Mendoza I, Bye R, Franzblau S, Timmermann B.Antimycobacterial compounds from Piper sanctum.J Nat Prod. 2004 Dec;67(12):1961-8

Curator

Rachana, Keyamukherjee, vikramjitmandal

Record - 21 of 21 [TOP]

Compound ID

3634

Compound Structure

Plant Source

Piper sanctum (Miq.) Schl. Common Name:

Source Family

Piperaceae

Origin

Southcentral region of Mexico

Plant Part Used

Stem

Extract

Dichloromethane:Methanol (1:1)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.25 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

8 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Piperolactam A

PubChem ID

3081016

Ethnomedicinal Information

PubMed ID [Source Literature]

15620234

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Phenanthrene, Amide, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

265.074

Molecular Formula

C₁₆H₁₁NO₃

SMILES

O(c1c(O)c2c3c([nH]c(=O)c3c1)cc1c2cccc1)C

XLogP

2.860

PSA

58.560

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) Mata R, Morales I, Pérez O, Rivero-Cruz I, Acevedo L, Enriquez-Mendoza I, Bye R, Franzblau S, Timmermann B.Antimycobacterial compounds from Piper sanctum.J Nat Prod. 2004 Dec;67(12):1961-8

Curator

Rachana, Keyamukherjee, vikramjitmandal

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