BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 4 Record - 1 of 100 [TOP]

Compound ID

1085

Compound Structure

Plant Source

Ailanthus altissima (Mill.) Swingle syn. Altissima glandulsa Desf. Common Name:Tree of Heaven, Ailanto (English), Aralu (Sanskrit)

Source Family

Simaroubaceae

Origin

India, China

Plant Part Used

Mother tinture

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Rifampin (0.031 µg/ml)

Inhibition [%]

17 %

Activity [MIC] µg/ml

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ailanthone

PubChem ID

72965

Ethnomedicinal Information

Used for treating mental illness, nausea and headache, treating cardiac palpitation, asthma and epilepsy

PubMed ID [Source Literature]

17276637

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Quassinoid, Furanoid, Lactone, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

376.152

Molecular Formula

C₂₀H₂₄O₇

SMILES

O1[C@]2(O)[C@H]3[C@]4([C@H](OC(=O)C[C@H]4C(=C)[C@H]2O)C[C@@H]2[C@@]3([C@H](O)C(=O)C=C2C)C)C1

XLogP

-0.429

PSA

113.290

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) Gautam R, Saklani A, Jachak SM.Indian medicinal plants as a source of antimycobacterial agents.J Ethnopharmacol. 2007 Mar 21;110(2):200-34

2) Rahman S, Fukamiya N, Okano M, Tagahara K, Lee KH.Anti-tuberculosis activity of quassinoids.Chem Pharm Bull (Tokyo). 1997 Sep;45(9):1527-9

Curator

Record - 2 of 100 [TOP]

Compound ID

1218

Compound Structure

Plant Source

Artocarpus lakoocha Roxb.Artocarpus lacucha Buch.-Ham Common Name:Monkey Jack (English), Lakuch, Kshudra Panas, Granthiphala, Pitanaasha (Sanskrit)

Source Family

Moraceae

Origin

India

Plant Part Used

Root

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.040 – 0.090 µg/ml) and Kanamycin sulphate (2 – 5 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

Lakoochin A

PubChem ID

3012524

Ethnomedicinal Information

Leprosy, used as folkmedicine for other diseases

PubMed ID [Source Literature]

15043440

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Stilbene, Furanoid, Phenol, Prenylated, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

Against KB and BC - 1 cell lines

Molecular Weight

406.214

Molecular Formula

C₂₆H₃₀O₄

SMILES

O1c(c2c(CC=C(C)C)c(OC)cc(OC)c2CC=C(C)C)cc2c1cc(O)cc2

XLogP

5.873

PSA

51.830

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) Puntumchai A, Kittakoop P, Rajviroongit S, Vimuttipong S, Likhitwitayawuid K, Thebtaranonth Y.Lakoochins A and B, new antimycobacterial stilbene derivatives from Artocarpus lakoocha.J Nat Prod. 2004 Mar;67(3):485-6

2) Pushpangadan P, Atal CK.Ethno-medico-botanical investigations in Kerala I. Some primitive tribals of western ghats and their herbal medicine.J Ethnopharmacol. 1984 Jun;11(1):59-77

Curator

Record - 3 of 100 [TOP]

Compound ID

1219

Compound Structure

Plant Source

Artocarpus lakoocha Roxb.Artocarpus lacucha Buch.-Ham Common Name:Monkey Jack (English), Lakuch, Kshudra Panas, Granthiphala, Pitanaasha (Sanskrit)

Source Family

Moraceae

Origin

India

Plant Part Used

Root

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.040 – 0.090 µg/ml) and Kanamycin sulphate (2 – 5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Lakoochin B

PubChem ID

6479925

Ethnomedicinal Information

Leprosy, used as folkmedicine for other diseases

PubMed ID [Source Literature]

15043440

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Stilbene, Furanoid, Phenol, Prenylated

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

Against KB and BC - 1 cell lines

Molecular Weight

446.246

Molecular Formula

C₂₉H₃₄O₄

SMILES

O1c(c2c(C/C=C(/CCC=C(C)C)C)c(O)cc(O)c2CC=C(C)C)cc2c1cc(O)cc2

XLogP

6.657

PSA

73.830

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 100 [TOP]

Compound ID

1335

Compound Structure

Plant Source

Caesalpinia pulcherrima (L.) Sw. Common Name:Barbados Pride (English), Padangam, Ratnagandhi, Krishnachuudaa (Sanskrit)

Source Family

Caesalpiniaceae

Origin

India

Plant Part Used

Root

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.040 – 0.090 µg/ml) and Kanamycin sulphate (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

6β - Cinnamoyl - 7β - Hydroxyvouacapen - 5α - Ol

PubChem ID

6479669

Ethnomedicinal Information

Tuberculosis, bronchitis, asthma

PubMed ID [Source Literature]

14531033

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Terpene, Diterpene, Furanoid, Cinnamoyl, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

Against KB, BC, NCI - H187 cell lines

Molecular Weight

464.256

Molecular Formula

C₂₉H₃₆O₅

SMILES

O[C@]12[C@@]([C@@H]3[C@@H]([C@@H](O)[C@H]1OC(=O)/C=C/c1ccccc1)[C@H](c1c(occ1)C3)C)(CCCC2(C)C)C

XLogP

7.503

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) Promsawan N, Kittakoop P, Boonphong S, Nongkunsarn P.Antitubercular cassane furanoditerpenoids from the roots of Caesalpinia pulcherrima.Planta Med. 2003 Aug;69(8):776-7

2) Chopra, R.N., Nayar, S.L., Chopra, R.C., 1956. Glossary of Indian Medicinal Plants. Council of Scientific and Industrial Research, New Delhi, India

Curator

Record - 5 of 100 [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 - 6 of 100 [TOP]

Compound ID

2430

Compound Structure

Plant Source

Potamogeton malaianus Common Name:Curly Pondweed (English)

Source Family

Potamogetonaceae

Origin

India

Plant Part Used

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Potamogetonyde

PubChem ID

485584

Ethnomedicinal Information

Anti - inflammatory, tuberculosis

PubMed ID [Source Literature]

11277765

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Diterpene, Terpene, Furanoid, Acetyl, Alcohol, Aldehyde

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

358.214

Molecular Formula

C₂₂H₃₀O₄

SMILES

O(C[C@]1([C@@H]2[C@]([C@@H](C(=C)CC2)CCc2ccoc2)(CCC1)C=O)C)C(=O)C

XLogP

4.517

PSA

56.510

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) Kittakoop P, Wanasith S, Watts P, Kramyu J, Tanticharoen M, Thebtaranonth Y.Potent antiviral potamogetonyde and potamogetonol, new furanoid labdane diterpenes from Potamogeton malaianus.J Nat Prod. 2001 Mar;64(3):385-8

Curator

Record - 7 of 100 [TOP]

Compound ID

2431

Compound Structure

Plant Source

Potamogeton malaianus Common Name:Curly Pondweed (English)

Source Family

Potamogetonaceae

Origin

India

Plant Part Used

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Potamogetonol

PubChem ID

485585

Ethnomedicinal Information

Anti - inflammatory, tuberculosis

PubMed ID [Source Literature]

11277765

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Diterpene, Terpene, Furanoid, Acetyl, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

360.230

Molecular Formula

C₂₂H₃₂O₄

SMILES

OC[C@]12[C@@H]([C@@](CCC1)(COC(=O)C)C)CCC(=C)[C@H]2CCc1ccoc1

XLogP

4.410

PSA

59.670

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 - 8 of 100 [TOP]

Compound ID

2432

Compound Structure

Plant Source

Potamogeton malaianus Common Name:Curly Pondweed (English)

Source Family

Potamogetonaceae

Origin

India

Plant Part Used

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Potamogetonin

PubChem ID

6453492

Ethnomedicinal Information

Anti - inflammatory, tuberculosis

PubMed ID [Source Literature]

11277765

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Diterpene, Furanoid, Lactone

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

314.188

Molecular Formula

C₂₀H₂₆O₃

SMILES

CC12CCCC3(C1CCC(=C)C3CCC4=COC=C4)C(=O)OC2

XLogP

4.183

PSA

39.440

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)

Curator

Record - 9 of 100 [TOP]

Compound ID

2433

Compound Structure

Plant Source

Potamogeton malaianus Common Name:Curly Pondweed (English)

Source Family

Potamogetonaceae

Origin

India

Plant Part Used

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

15,16-epoxy-12-oxo-8(17),13(16),14-labdatrien-20,19-olide

PubChem ID

5478978

Ethnomedicinal Information

Anti-inflammatory, tuberculosis

PubMed ID [Source Literature]

11277765

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Diterpene, Terpene, Furanoid, Lactone, Ketone, Acetyl, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

328.167

Molecular Formula

C₂₀H₂₄O₄

SMILES

O1C[C@]2([C@@H]3[C@]([C@@H](C(=C)CC3)CC(=O)c3ccoc3)(CCC2)C1=O)C

XLogP

2.899

PSA

56.510

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 - 10 of 100 [TOP]

Compound ID

2618

Compound Structure

Plant Source

Solidago rugosa Mill Common Name:Wrinkleleaf Goldenrod

Source Family

Asteraceae (Compositae)

Origin

North America

Plant Part Used

Root, Aerial

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

> 100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Hardwickiic acid

PubChem ID

479908

Ethnomedicinal Information

Anti - inflammatory, tuberculosis

PubMed ID [Source Literature]

7772306

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Diterpene, Terpene, Furanoid, Acid

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

302.188

Molecular Formula

C₁₉H₂₆O₃

SMILES

OC(=O)C1=CCC[C@@H]2[C@]([C@@H](CC[C@@H]12)C)(CCc1ccoc1)C

XLogP

5.727

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) Lu T, Vargas D, Franzblau SG, Fischer NH. Diterpenes from Solidago rugosa.Phytochemistry.1995 Jan;38(2):451-6

Curator

Record - 11 of 100 [TOP]

Compound ID

2824

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

35 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Methyl 7 - Methoxyanodendroate

PubChem ID

24970510

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

18564877

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Furanoid, Ester, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

266.115

Molecular Formula

C₁₄H₁₈O₅

SMILES

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

XLogP

1.508

PSA

64.990

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 - 12 of 100 [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 - 13 of 100 [TOP]

Compound ID

2827

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

Dictamnine

PubChem ID

68085

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

18564877

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Quinoline, Furanoid, Alkaloid, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

199.063

Molecular Formula

C₁₂H₉NO₂

SMILES

O1c2nc3c(c(OC)c2cc1)cccc3

XLogP

2.723

PSA

35.260

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 - 14 of 100 [TOP]

Compound ID

2828

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

γ - Fagarine

PubChem ID

107936

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

18564877

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Quinoline, Furanoid, Alkaloid, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

229.074

Molecular Formula

C₁₃H₁₁NO₃

SMILES

O1c2nc3c(c(OC)c2cc1)cccc3OC

XLogP

2.068

PSA

44.490

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 - 15 of 100 [TOP]

Compound ID

2864

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

Eupomatenoid 7

PubChem ID

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, Tricyclic, Furanoid, Alkene, Ether, Phenol

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

C1c(cc(c2c1c(c(o2)c1cc(c(cc1)O)OC)C)OC)/C=C/C

XLogP

4.461

PSA

51.830

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 - 16 of 100 [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)

Curator

Vikramjitmandal

Record - 17 of 100 [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 - 18 of 100 [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 - 19 of 100 [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 - 20 of 100 [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 - 21 of 100 [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 - 22 of 100 [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 - 23 of 100 [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 - 24 of 100 [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 - 25 of 100 [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

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