BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 1 Record - 1 of 23 [TOP]

Compound ID

2826

Compound Structure

Plant Source

Zanthoxylum wutaiense Common Name:

Source Family

Rutaceae

Origin

China

Plant Part Used

Root, wood

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

30 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Wutaiensal

PubChem ID

25015068

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

18564877

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Phenylpropanoid, Benzofuranoid, Aldehyde, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

262.121

Molecular Formula

C₁₅H₁₈O₄

SMILES

O1[C@H](C(O)(C)C)Cc2c1c(OC)cc(c2)/C=C/C=O

XLogP

1.873

PSA

55.760

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) Huang HY, Ishikawa T, Peng CF, Tsai IL, Chen IS.Constituents of the root wood of Zanthoxylum wutaiense with antitubercular activity.J Nat Prod. 2008 Jul;71(7):1146-51

Curator

Record - 2 of 23 [TOP]

Compound ID

2865

Compound Structure

Plant Source

Aristolochia taliscana Hook. Common Name:Dutchman's Pipes

Source Family

Aristolochiaceae

Origin

Mexico

Plant Part Used

Root

Extract

N - hexane

Target Bacteria

Mycobacterium tuberculosis H37Rv (ATCC 27 294)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (0.5 µg/ml), Isoniazid (0.06 µg/ml), Rifampin (0.1 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Licarin B

PubChem ID

5384942

Ethnomedicinal Information

PubMed ID [Source Literature]

20209328

Extract Preparation

Powdered air - dried roots (1.5 kg) were macerated (3 × 48 h) with 12 L of n - Hexane. The extract was filtered and evaporated in vacuo to yield 33 g of the crude extract

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Benzofuranoid, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

J774A.1 murine macrophage cell line (ATCC HB - 197) using the trypan blue exclusion test

Molecular Weight

324.136

Molecular Formula

C₂₀H₂₀O₄

SMILES

O1C([C@H](c2c1c(OC)cc(c2)/C=C/C)C)c1cc2OCOc2cc1

XLogP

4.809

PSA

36.920

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) León-Díaz R, Meckes M, Said-Fernández S, Molina-Salinas GM, Vargas-Villarreal J, Torres J, Luna-Herrera J, Jiménez-Arellanes A.Antimycobacterial neolignans isolated from Aristolochia taliscana.Mem Inst Oswaldo Cruz. 2010 Feb;105(1):45-51

Curator

Vikramjitmandal

Record - 3 of 23 [TOP]

Compound ID

2866

Compound Structure

Plant Source

Aristolochia taliscana Hook. Common Name:Dutchman's Pipes

Source Family

Aristolochiaceae

Origin

Mexico

Plant Part Used

Root

Extract

N - hexane

Target Bacteria

Mycobacterium tuberculosis H37Rv (ATCC 35822) (Isoniazid resistant)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (0.5 µg/ml), Isoniazid (0.06 µg/ml), Rifampin (0.1 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Licarin B

PubChem ID

5384942

Ethnomedicinal Information

PubMed ID [Source Literature]

20209328

Extract Preparation

Powdered air - dried roots (1.5 kg) were macerated (3 × 48 h) with 12 L of n - Hexane. The extract was filtered and evaporated in vacuo to yield 33 g of the crude extract

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Benzofuranoid, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

J774A.1 murine macrophage cell line (ATCC HB - 197) using the trypan blue exclusion test

Molecular Weight

324.136

Molecular Formula

C₂₀H₂₀O₄

SMILES

O1C([C@H](c2c1c(OC)cc(c2)/C=C/C)C)c1cc2OCOc2cc1

XLogP

4.809

PSA

36.920

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

Vikramjitmandal

Record - 4 of 23 [TOP]

Compound ID

2867

Compound Structure

Plant Source

Aristolochia taliscana Hook. Common Name:Dutchman's Pipes

Source Family

Aristolochiaceae

Origin

Mexico

Plant Part Used

Root

Extract

N - hexane

Target Bacteria

Mycobacterium tuberculosis H37Rv (ATCC 35838) (Rifampin resistant)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (0.5 µg/ml), Isoniazid (0.06 µg/ml), Rifampin (0.1 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Licarin B

PubChem ID

5384942

Ethnomedicinal Information

PubMed ID [Source Literature]

20209328

Extract Preparation

Powdered air - dried roots (1.5 kg) were macerated (3 × 48 h) with 12 L of n - Hexane. The extract was filtered and evaporated in vacuo to yield 33 g of the crude extract

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Benzofuranoid, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

J774A.1 murine macrophage cell line (ATCC HB - 197) using the trypan blue exclusion test

Molecular Weight

324.136

Molecular Formula

C₂₀H₂₀O₄

SMILES

O1C([C@H](c2c1c(OC)cc(c2)/C=C/C)C)c1cc2OCOc2cc1

XLogP

4.809

PSA

36.920

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

Vikramjitmandal

Record - 5 of 23 [TOP]

Compound ID

2868

Compound Structure

Plant Source

Aristolochia taliscana Hook. Common Name:Dutchman's Pipes

Source Family

Aristolochiaceae

Origin

Mexico

Plant Part Used

Root

Extract

N - hexane

Target Bacteria

Mycobacterium tuberculosis H37Rv (ATCC 35820) (Streptomycin resistant)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (0.5 µg/ml), Isoniazid (0.06 µg/ml), Rifampin (0.1 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Licarin B

PubChem ID

5384942

Ethnomedicinal Information

PubMed ID [Source Literature]

20209328

Extract Preparation

Powdered air - dried roots (1.5 kg) were macerated (3 × 48 h) with 12 L of n - Hexane. The extract was filtered and evaporated in vacuo to yield 33 g of the crude extract

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Benzofuranoid, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

J774A.1 murine macrophage cell line (ATCC HB - 197) using the trypan blue exclusion test

Molecular Weight

324.136

Molecular Formula

C₂₀H₂₀O₄

SMILES

O1C([C@H](c2c1c(OC)cc(c2)/C=C/C)C)c1cc2OCOc2cc1

XLogP

4.809

PSA

36.920

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

Vikramjitmandal

Record - 6 of 23 [TOP]

Compound ID

2869

Compound Structure

Plant Source

Aristolochia taliscana Hook. Common Name:Dutchman's Pipes

Source Family

Aristolochiaceae

Origin

Mexico

Plant Part Used

Root

Extract

N - hexane

Target Bacteria

Mycobacterium tuberculosis H37Rv (ATCC 35837) (Ethambutol resistant)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (0.5 µg/ml), Isoniazid (0.06 µg/ml), Rifampin (0.1 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Licarin B

PubChem ID

5384942

Ethnomedicinal Information

PubMed ID [Source Literature]

20209328

Extract Preparation

Powdered air - dried roots (1.5 kg) were macerated (3 × 48 h) with 12 L of n - Hexane. The extract was filtered and evaporated in vacuo to yield 33 g of the crude extract

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Benzofuranoid, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

J774A.1 murine macrophage cell line (ATCC HB - 197) using the trypan blue exclusion test

Molecular Weight

324.136

Molecular Formula

C₂₀H₂₀O₄

SMILES

O1C([C@H](c2c1c(OC)cc(c2)/C=C/C)C)c1cc2OCOc2cc1

XLogP

4.809

PSA

36.920

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

Vikramjitmandal

Record - 7 of 23 [TOP]

Compound ID

2870

Compound Structure

Plant Source

Aristolochia taliscana Hook. Common Name:Dutchman's pipes

Source Family

Aristolochiaceae

Origin

Mexico

Plant Part Used

Root

Extract

N - hexane

Target Bacteria

Mycobacterium tuberculosis (Clinical isolate MMDO)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (0.5 µg/ml), Isoniazid (0.06 µg/ml), Rifampin (0.1 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Licarin B

PubChem ID

5384942

Ethnomedicinal Information

PubMed ID [Source Literature]

20209328

Extract Preparation

Powdered air - dried roots (1.5 kg) were macerated (3 × 48 h) with 12 L of n - Hexane. The extract was filtered and evaporated in vacuo to yield 33 g of the crude extract

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Benzofuranoid, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

J774A.1 murine macrophage cell line (ATCC HB - 197) using the trypan blue exclusion test

Molecular Weight

324.136

Molecular Formula

C₂₀H₂₀O₄

SMILES

O1C([C@H](c2c1c(OC)cc(c2)/C=C/C)C)c1cc2OCOc2cc1

XLogP

4.809

PSA

36.920

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

Vikramjitmandal

Record - 8 of 23 [TOP]

Compound ID

2871

Compound Structure

Plant Source

Aristolochia taliscana Hook. Common Name:Dutchman's Pipes

Source Family

Aristolochiaceae

Origin

Mexico

Plant Part Used

Root

Extract

N - hexane

Target Bacteria

Mycobacterium tuberculosis (clinical isolate MTY650)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (0.5 µg/ml), Isoniazid (0.06 µg/ml), Rifampin (0.1 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Licarin B

PubChem ID

5384942

Ethnomedicinal Information

PubMed ID [Source Literature]

20209328

Extract Preparation

Powdered air - dried roots (1.5 kg) were macerated (3 × 48 h) with 12 l of n - Hexane. The extract was filtered and evaporated in vacuo to yield 33 g of the crude extract

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Benzofuranoid, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

J774A.1 murine macrophage cell line (ATCC HB - 197) using the trypan blue exclusion test

Molecular Weight

324.136

Molecular Formula

C₂₀H₂₀O₄

SMILES

O1C([C@H](c2c1c(OC)cc(c2)/C=C/C)C)c1cc2OCOc2cc1

XLogP

4.809

PSA

36.920

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

Vikramjitmandal

Record - 9 of 23 [TOP]

Compound ID

2872

Compound Structure

Plant Source

Aristolochia taliscana Hook. Common Name:Dutchman's Pipes

Source Family

Aristolochiaceae

Origin

Mexico

Plant Part Used

Root

Extract

N - hexane

Target Bacteria

Mycobacterium tuberculosis (clinical isolate MTY663)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (0.5 µg/ml), Isoniazid (0.06 µg/ml), Rifampin (0.1 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Licarin B

PubChem ID

5384942

Ethnomedicinal Information

PubMed ID [Source Literature]

20209328

Extract Preparation

Powdered air - dried roots (1.5 kg) were macerated (3 × 48 h) with 12 l of n - Hexane. The extract was filtered and evaporated in vacuo to yield 33 g of the crude extract

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Benzofuranoid, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

J774A.1 murine macrophage cell line (ATCC HB - 197) using the trypan blue exclusion test

Molecular Weight

324.136

Molecular Formula

C₂₀H₂₀O₄

SMILES

O1C([C@H](c2c1c(OC)cc(c2)/C=C/C)C)c1cc2OCOc2cc1

XLogP

4.809

PSA

36.920

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

Vikramjitmandal

Record - 10 of 23 [TOP]

Compound ID

2873

Compound Structure

Plant Source

Aristolochia taliscana Hook. Common Name:Dutchman's Pipes

Source Family

Aristolochiaceae

Origin

Mexico

Plant Part Used

Root

Extract

N - hexane

Target Bacteria

Mycobacterium tuberculosis (clinical isolate MTY675)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (0.5 µg/ml), Isoniazid (0.06 µg/ml), Rifampin (0.1 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Licarin B

PubChem ID

5384942

Ethnomedicinal Information

PubMed ID [Source Literature]

20209328

Extract Preparation

Powdered air - dried roots (1.5 kg) were macerated (3 × 48 h) with 12 l of n - Hexane. The extract was filtered and evaporated in vacuo to yield 33 g of the crude extract

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Benzofuranoid, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

J774A.1 murine macrophage cell line (ATCC HB - 197) using the trypan blue exclusion test

Molecular Weight

324.136

Molecular Formula

C₂₀H₂₀O₄

SMILES

O1C([C@H](c2c1c(OC)cc(c2)/C=C/C)C)c1cc2OCOc2cc1

XLogP

4.809

PSA

36.920

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

Vikramjitmandal

Record - 11 of 23 [TOP]

Compound ID

2874

Compound Structure

Plant Source

Aristolochia taliscana Hook. Common Name:Dutchman's Pipes

Source Family

Aristolochiaceae

Origin

Mexico

Plant Part Used

Root

Extract

N - hexane

Target Bacteria

Mycobacterium tuberculosis (clinical isolate MTY282)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (0.5 µg/ml), Isoniazid (0.06 µg/ml), Rifampin (0.1 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Licarin B

PubChem ID

5384942

Ethnomedicinal Information

PubMed ID [Source Literature]

20209328

Extract Preparation

Powdered air - dried roots (1.5 kg) were macerated (3 × 48 h) with 12 l of n - Hexane. The extract was filtered and evaporated in vacuo to yield 33 g of the crude extract

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Benzofuranoid, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

J774A.1 murine macrophage cell line (ATCC HB - 197) using the trypan blue exclusion test

Molecular Weight

324.136

Molecular Formula

C₂₀H₂₀O₄

SMILES

O1C([C@H](c2c1c(OC)cc(c2)/C=C/C)C)c1cc2OCOc2cc1

XLogP

4.809

PSA

36.920

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

Vikramjitmandal

Record - 12 of 23 [TOP]

Compound ID

2875

Compound Structure

Plant Source

Aristolochia taliscana Hook. Common Name:Dutchman's pipes

Source Family

Aristolochiaceae

Origin

Mexico

Plant Part Used

Root

Extract

N - hexane

Target Bacteria

Mycobacterium tuberculosis (Clinical isolate HG8)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (0.5 µg/ml), Isoniazid (0.06 µg/ml), Rifampin (0.1 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Licarin B

PubChem ID

5384942

Ethnomedicinal Information

PubMed ID [Source Literature]

20209328

Extract Preparation

Powdered air - dried roots (1.5 kg) were macerated (3 × 48 h) with 12 l of n - Hexane. The extract was filtered and evaporated in vacuo to yield 33 g of the crude extract

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Benzofuranoid, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

J774A.1 murine macrophage cell line (ATCC HB - 197) using the trypan blue exclusion test

Molecular Weight

324.136

Molecular Formula

C₂₀H₂₀O₄

SMILES

O1C([C@H](c2c1c(OC)cc(c2)/C=C/C)C)c1cc2OCOc2cc1

XLogP

4.809

PSA

36.920

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

Vikramjitmandal

Record - 13 of 23 [TOP]

Compound ID

2876

Compound Structure

Plant Source

Aristolochia taliscana Hook. Common Name:Dutchman's Pipes

Source Family

Aristolochiaceae

Origin

Mexico

Plant Part Used

Root

Extract

N - hexane

Target Bacteria

Mycobacterium tuberculosis (Clinical isolate SIN3)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (0.5 µg/ml), Isoniazid (0.06 µg/ml), Rifampin (0.1 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Licarin B

PubChem ID

5384942

Ethnomedicinal Information

PubMed ID [Source Literature]

20209328

Extract Preparation

Powdered air - dried roots (1.5 kg) were macerated (3 × 48 h) with 12 l of n - Hexane. The extract was filtered and evaporated in vacuo to yield 33 g of the crude extract

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Benzofuranoid, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

J774A.1 murine macrophage cell line (ATCC HB - 197) using the trypan blue exclusion test

Molecular Weight

324.136

Molecular Formula

C₂₀H₂₀O₄

SMILES

O1C([C@H](c2c1c(OC)cc(c2)/C=C/C)C)c1cc2OCOc2cc1

XLogP

4.809

PSA

36.920

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

Vikramjitmandal

Record - 14 of 23 [TOP]

Compound ID

2877

Compound Structure

Plant Source

Aristolochia taliscana Hook. Common Name:Dutchman's Pipes

Source Family

Aristolochiaceae

Origin

Mexico

Plant Part Used

Root

Extract

N - hexane

Target Bacteria

Mycobacterium tuberculosis (clinical isolate MTY234)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (0.5 µg/ml), Isoniazid (0.06 µg/ml), Rifampin (0.1 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Licarin B

PubChem ID

5384942

Ethnomedicinal Information

PubMed ID [Source Literature]

20209328

Extract Preparation

Powdered air - dried roots (1.5 kg) were macerated (3 × 48 h) with 12 l of n - Hexane. The extract was filtered and evaporated in vacuo to yield 33 g of the crude extract

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Benzofuranoid, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

J774A.1 murine macrophage cell line (ATCC HB - 197) using the trypan blue exclusion test

Molecular Weight

324.136

Molecular Formula

C₂₀H₂₀O₄

SMILES

O1C([C@H](c2c1c(OC)cc(c2)/C=C/C)C)c1cc2OCOc2cc1

XLogP

4.809

PSA

36.920

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

Vikramjitmandal

Record - 15 of 23 [TOP]

Compound ID

2878

Compound Structure

Plant Source

Aristolochia taliscana Hook. Common Name:Dutchman's Pipes

Source Family

Aristolochiaceae

Origin

Mexico

Plant Part Used

Root

Extract

N - hexane

Target Bacteria

Mycobacterium tuberculosis (clinical isolate MTY112)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (0.5 µg/ml), Isoniazid (0.06 µg/ml), Rifampin (0.1 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Licarin B

PubChem ID

5384942

Ethnomedicinal Information

PubMed ID [Source Literature]

20209328

Extract Preparation

Powdered air - dried roots (1.5 kg) were macerated (3 × 48 h) with 12 l of n - Hexane. The extract was filtered and evaporated in vacuo to yield 33 g of the crude extract

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Benzofuranoid, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

J774A.1 murine macrophage cell line (ATCC HB - 197) using the trypan blue exclusion test

Molecular Weight

324.136

Molecular Formula

C₂₀H₂₀O₄

SMILES

O1C([C@H](c2c1c(OC)cc(c2)/C=C/C)C)c1cc2OCOc2cc1

XLogP

4.809

PSA

36.920

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

Vikramjitmandal

Record - 16 of 23 [TOP]

Compound ID

2879

Compound Structure

Plant Source

Aristolochia taliscana Hook. Common Name:Dutchman's Pipes

Source Family

Aristolochiaceae

Origin

Mexico

Plant Part Used

Root

Extract

N - hexane

Target Bacteria

Mycobacterium tuberculosis (clinical isolate MTY559)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (0.5 µg/ml), Isoniazid (0.06 µg/ml), Rifampin (0.1 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Licarin B

PubChem ID

5384942

Ethnomedicinal Information

PubMed ID [Source Literature]

20209328

Extract Preparation

Powdered air - dried roots (1.5 kg) were macerated (3 × 48 h) with 12 l of n - Hexane. The extract was filtered and evaporated in vacuo to yield 33 g of the crude extract

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Benzofuranoid, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

J774A.1 murine macrophage cell line (ATCC HB - 197) using the trypan blue exclusion test

Molecular Weight

324.136

Molecular Formula

C₂₀H₂₀O₄

SMILES

O1C([C@H](c2c1c(OC)cc(c2)/C=C/C)C)c1cc2OCOc2cc1

XLogP

4.809

PSA

36.920

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

Vikramjitmandal

Record - 17 of 23 [TOP]

Compound ID

2880

Compound Structure

Plant Source

Aristolochia taliscana Hook. Common Name:Dutchman's Pipes

Source Family

Aristolochiaceae

Origin

Mexico

Plant Part Used

Root

Extract

N - hexane

Target Bacteria

Mycobacterium tuberculosis (Clinical isolate SIN4)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (0.5 µg/ml), Isoniazid (0.06 µg/ml), Rifampin (0.1 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Licarin B

PubChem ID

5384942

Ethnomedicinal Information

PubMed ID [Source Literature]

20209328

Extract Preparation

Powdered air - dried roots (1.5 kg) were macerated (3 × 48 h) with 12 l of n - Hexane. The extract was filtered and evaporated in vacuo to yield 33 g of the crude extract

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Benzofuranoid, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

J774A.1 murine macrophage cell line (ATCC HB - 197) using the trypan blue exclusion test

Molecular Weight

324.136

Molecular Formula

C₂₀H₂₀O₄

SMILES

O1C([C@H](c2c1c(OC)cc(c2)/C=C/C)C)c1cc2OCOc2cc1

XLogP

4.809

PSA

36.920

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

Vikramjitmandal

Record - 18 of 23 [TOP]

Compound ID

2881

Compound Structure

Plant Source

Aristolochia taliscana Hook. Common Name:Dutchman's Pipes

Source Family

Aristolochiaceae

Origin

Mexico

Plant Part Used

Root

Extract

N - hexane

Target Bacteria

Mycobacterium tuberculosis (clinical isolate MTY172)

Assay / Test Done

Positive Control Used (conc.)

Streptomycin (0.5 µg/ml), Isoniazid (0.06 µg/ml), Rifampin (0.1 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Licarin B

PubChem ID

5384942

Ethnomedicinal Information

PubMed ID [Source Literature]

20209328

Extract Preparation

Powdered air - dried roots (1.5 kg) were macerated (3 × 48 h) with 12 l of n - Hexane. The extract was filtered and evaporated in vacuo to yield 33 g of the crude extract

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Benzofuranoid, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

324.136

Molecular Formula

C₂₀H₂₀O₄

SMILES

O1C([C@H](c2c1c(OC)cc(c2)/C=C/C)C)c1cc2OCOc2cc1

XLogP

4.809

PSA

36.920

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 - 19 of 23 [TOP]

Compound ID

3361

Compound Structure

Plant Source

Amyris elemifera Common Name:NR

Source Family

Rutaceae

Origin

Guadeloupe

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

Bactec: 100 µg/ml, 7H11 agar: 200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Heraclenol

PubChem ID

328236

Ethnomedicinal Information

Antimycobacterial

PubMed ID [Source Literature]

9626931

Extract Preparation

The dried powdered material was moistened with 25 % NH₄OH, and extracted by chloroform. The organic phase was treated with 2 % HCl, the acid layer was washed with petroleum ether, basified with 25 % NH₄OH, and extracted with chloroform. The organic phase was washed with water, and dried over Na₂SO₄. The organic extracts were evaporated and subjected to chromatography on silica gel

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Coumarin, Benzofuranoid, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Fresh Loëwenstein - Jensen (LJ) slants, Middlebrook 7H11 agar medium

Cytotoxicity Assay [AID]

Molecular Weight

304.095

Molecular Formula

C₁₆H₁₆O₆

SMILES

O(CC(O)C(O)(C)C)c1c2occc2cc2c1oc(=O)cc2

XLogP

1.710

PSA

79.900

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) Rastogi N, Abaul J, Goh KS, Devallois A, Philogène E, Bourgeois P.Antimycobacterial activity of chemically defined natural substances from the Caribbean flora in Guadeloupe.FEMS Immunol Med Microbiol. 1998 Apr;20(4):267-73

Curator

Wvarsha, rachanake

Record - 20 of 23 [TOP]

Compound ID

3362

Compound Structure

Plant Source

Amyris elemifera Common Name:NR

Source Family

Rutaceae

Origin

Guadeloupe

Plant Part Used

Extract

Target Bacteria

Mycobacterium avium 733

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

Bactec: 100 µg/ml, 7H11 agar: 200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Heraclenol

PubChem ID

328236

Ethnomedicinal Information

Antimycobacterial

PubMed ID [Source Literature]

9626931

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Coumarin, Benzofuranoid, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Fresh Loëwenstein - Jensen (LJ) slants, Middlebrook 7H11 agar medium

Cytotoxicity Assay [AID]

Molecular Weight

304.095

Molecular Formula

C₁₆H₁₆O₆

SMILES

O(CC(O)C(O)(C)C)c1c2occc2cc2c1oc(=O)cc2

XLogP

1.710

PSA

79.900

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 - 21 of 23 [TOP]

Compound ID

3363

Compound Structure

Plant Source

Amyris elemifera Common Name:NR

Source Family

Rutaceae

Origin

Guadeloupe

Plant Part Used

Extract

Target Bacteria

Mycobacterium kansasii (Clinical isolate 94 - 069)

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

Bactec: > 100 µg/ml, 7H11 agar: 200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Heraclenol

PubChem ID

328236

Ethnomedicinal Information

Antimycobacterial

PubMed ID [Source Literature]

9626931

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Coumarin, Benzofuranoid, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Fresh Loëwenstein - Jensen (LJ) slants, Middlebrook 7H11 agar medium

Cytotoxicity Assay [AID]

Molecular Weight

304.095

Molecular Formula

C₁₆H₁₆O₆

SMILES

O(CC(O)C(O)(C)C)c1c2occc2cc2c1oc(=O)cc2

XLogP

1.710

PSA

79.900

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 - 22 of 23 [TOP]

Compound ID

3392

Compound Structure

Plant Source

Erythrina gibbosa Common Name:NR

Source Family

Fabaceae

Origin

Panamanian

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Agar Dilution - Streak Assay

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

8 - 25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Phaseolidine

PubChem ID

119268

Ethnomedicinal Information

PubMed ID [Source Literature]

9828037

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Benzopyran, Benzofuranoid, Prenylated

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

324.136

Molecular Formula

C₂₀H₂₀O₄

SMILES

O1[C@@H]2[C@H](c3c1c(c(O)cc3)CC=C(C)C)COc1c2ccc(O)c1

XLogP

3.265

PSA

58.920

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) Mitscher LA, Baker W.Tuberculosis: a search for novel therapy starting with natural products.Med Res Rev. 1998 Nov;18(6):363-74

Curator

Wvarsha, keyamukherjee, rachanake

Record - 23 of 23 [TOP]

Compound ID

3759

Compound Structure

Plant Source

Artcarpus rigidus BLUME subsp. rigidus Common Name:NR

Source Family

Moraceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

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

Artonin F

PubChem ID

14680593

Ethnomedicinal Information

PubMed ID [Source Literature]

17015984

Extract Preparation

The dried root bark (1.5 kg) was milled and extracted successively with n - hexane, CHCl₃ and MeOH in a Soxhlet extraction apparatus. The extracts were evaporated to dryness under reduced pressure at about 40°C. The hexane extract (brownish syrup, 8.4 g), the CHCl₃ extract (dark brownish sticky solid, 16.1 g) and the methanolic extract (dark brownish mass, 45.6 g) were obtained, respectively

Chemical Classification [Active Compound]

Aromatic, Pentacyclic, Flavonoid, Benzopyran, Benzofuranoid, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against human epidermoid carcinoma in the mouth (KB), human breast cancer cells (BC), human lung cancer cells (NCI - H187)

Molecular Weight

502.199

Molecular Formula

C₃₀H₃₀O₇

SMILES

O1C(C2c3c1c(O)cc(O)c3c1oc3c(c(=O)c1C2)c(O)c(c1OC(C=Cc31)(C)C)CC=C(C)C)(C)C

XLogP

3.394

PSA

96.220

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) Namdaung U, Aroonrerk N, Suksamrarn S, Danwisetkanjana K, Saenboonrueng J, Arjchomphu W, Suksamrarn A.Bioactive constituents of the root bark of Artocarpus rigidus subsp. rigidus.Chem Pharm Bull (Tokyo). 2006 Oct;54(10):1433-6

Curator

Reshmi, vikramjitmandal, rachanake

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