BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 2 Record - 1 of 42 [TOP]

Compound ID

1297

Compound Structure

Plant Source

Brucea javanica (L.) Merrill syn. Rhus javanica L. Common Name:Java Brucea

Source Family

Simaroubaceae

Origin

India, China

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Rifampin

Inhibition [%]

7 %

Activity [MIC] µg/ml

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Bruceoside D

PubChem ID

460525

Ethnomedicinal Information

Treatment of amoebic dysentery and malaria, stomach complaints

PubMed ID [Source Literature]

9332005

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Quassinoid, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

668.232

Molecular Formula

C₃₁H₄₀O₁₆

SMILES

O1C2([C@H]3[C@]4([C@@H]([C@@]5([C@@H](C[C@H]4OC(=O)[C@@H]3OC(=O)C=C(C)C)[C@@H](C(=O)C(=C5)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)C)C)[C@@H](O)[C@@H]2O)C1)C(=O)O

XLogP

-0.909

PSA

256.040

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) 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

2) http://www.hear.org/pier/commonnames/details/brucea_javanica.htm

Curator

Record - 2 of 42 [TOP]

Compound ID

1354

Compound Structure

Plant Source

Canscora decussata Schult. Common Name:Daakuni, Sankhaapushpi, Dandotpala (Sanskrit)

Source Family

Gentaniaceae

Origin

India

Plant Part Used

Mother tinture

Extract

Ethanol

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Tube Dilution Test

Positive Control Used (conc.)

Streptomycin sulphate (0.5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Mangiferin

PubChem ID

5281647

Ethnomedicinal Information

Tuberculosis, leprosy

PubMed ID [Source Literature]

807707, 565403

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Xanthonoid, Phenol, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

422.085

Molecular Formula

C₁₉H₁₈O₁₁

SMILES

O1[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1c(O)c2c(oc3c(c2=O)cc(O)c(O)c3)cc1O

XLogP

-2.646

PSA

188.140

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) Ghosal S, Chaudhuri RK.Chemical constituents of Gentianaceae XVI: antitubercular activity of xanthones of Canscora decussata Schult.J Pharm Sci. 1975 May;64(5):888-9

2) Ghosal S, Biswas K, Chaudhuri RK.Chemical constituents of Gentianaceae XXIV: Anti-Mycobacterium tuberculosis activity of naturally occurring xanthones and synthetic analogs.J Pharm Sci. 1978 May;67(5):721-2.

Curator

Record - 3 of 42 [TOP]

Compound ID

1412

Compound Structure

Plant Source

Cephaelis dichroa Common Name:

Source Family

Rubiaceae

Origin

Mexico

Plant Part Used

Aerial

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.06 µg/ml), Ethambutol (2 µg/ml), Rifampin (0.06 µg/ml), Streptomycin (0.50 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Strictosidine

PubChem ID

161336

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Alkaloid, Indole, Pyran, Ester, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

530.226

Molecular Formula

C₂₇H₃₄N₂O₉

SMILES

O([C@@H]1OC=C([C@@H](C[C@@H]2NCCc3c2[nH]c2c3cccc2)[C@H]1C=C)C(=O)OC)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO

XLogP

1.559

PSA

162.730

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) María del Rayo Camacho-Corona, Juan Manuel de Jesús Favela-Hernández, Omar González-Santiago, Elvira Garza-González, Gloria María Molina-Salinas, Salvador Said-Fernández, Guillermo Delgado, Julieta Luna-Herrerae.Evaluation of Some Plant-derived Secondary Metabolites Against Sensitive and Multidrug-resistant Mycobacterium tuberculosis.J. Mex. Chem. Soc. 2009, 53(2), 71-75

Curator

Record - 4 of 42 [TOP]

Compound ID

1413

Compound Structure

Plant Source

Cephaelis dichroa Common Name:

Source Family

Rubiaceae

Origin

Mexico

Plant Part Used

Aerial

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.06 µg/ml), Ethambutol (2 µg/ml), Rifampin (0.06 µg/ml), Streptomycin (0.50 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

6.25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Peracetyl - Strictosidine Lactam

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Pentacyclic, Alkaloid, Carbazole, Pyran, Isoquinoline, O-Acetyl, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

650.284

Molecular Formula

C₃₅H₄₂N₂O₁₀

SMILES

C1cccc2c1c1c([nH]2)C2N(CC1)CC1=COC(C(C1C2)C=C)OC1O[C@H]([C@@H]([C@H]([C@@H]1OC(=O)C)CC(=O)C)OC(=O)C)COC(=O)C

XLogP

3.192

PSA

142.690

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 5 of 42 [TOP]

Compound ID

1414

Compound Structure

Plant Source

Cephaelis dichroa Common Name:

Source Family

Rubiaceae

Origin

Mexico

Plant Part Used

Aerial

Extract

Target Bacteria

Mycobacterium tuberculosis (345)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (3.125 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Strictosidine

PubChem ID

161336

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Alkaloid, Indole, Pyran, Ester, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

530.226

Molecular Formula

C₂₇H₃₄N₂O₉

SMILES

O([C@@H]1OC=C([C@@H](C[C@@H]2NCCc3c2[nH]c2c3cccc2)[C@H]1C=C)C(=O)OC)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO

XLogP

1.559

PSA

162.730

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 6 of 42 [TOP]

Compound ID

1415

Compound Structure

Plant Source

Cephaelis dichroa Common Name:

Source Family

Rubiaceae

Origin

Mexico

Plant Part Used

Aerial

Extract

Target Bacteria

Mycobacterium tuberculosis (345)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (3.125 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Peracetyl - Strictosidine Lactam

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Pentacyclic, Alkaloid, Carbazole, Pyran, Isoquinoline, O-Acetyl, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

650.284

Molecular Formula

C₃₅H₄₂N₂O₁₀

SMILES

C1cccc2c1c1c([nH]2)C2N(CC1)CC1=COC(C(C1C2)C=C)OC1O[C@H]([C@@H]([C@H]([C@@H]1OC(=O)C)CC(=O)C)OC(=O)C)COC(=O)C

XLogP

3.192

PSA

142.690

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 7 of 42 [TOP]

Compound ID

1416

Compound Structure

Plant Source

Cephaelis dichroa Common Name:

Source Family

Rubiaceae

Origin

Mexico

Plant Part Used

Aerial

Extract

Target Bacteria

Mycobacterium tuberculosis (M12)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (12.50 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Strictosidine

PubChem ID

161336

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Alkaloid, Indole, Pyran, Ester, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

530.226

Molecular Formula

C₂₇H₃₄N₂O₉

SMILES

O([C@@H]1OC=C([C@@H](C[C@@H]2NCCc3c2[nH]c2c3cccc2)[C@H]1C=C)C(=O)OC)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO

XLogP

1.559

PSA

162.730

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 42 [TOP]

Compound ID

1417

Compound Structure

Plant Source

Cephaelis dichroa Common Name:

Source Family

Rubiaceae

Origin

Mexico

Plant Part Used

Aerial

Extract

Target Bacteria

Mycobacterium tuberculosis (M12)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (12.50 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Peracetyl - strictosidine lactam

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Pentacyclic, Alkaloid, Carbazole, Pyran, Isoquinoline, O-Acetyl, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

650.284

Molecular Formula

C₃₅H₄₂N₂O₁₀

SMILES

C1cccc2c1c1c([nH]2)C2N(CC1)CC1=COC(C(C1C2)C=C)OC1O[C@H]([C@@H]([C@H]([C@@H]1OC(=O)C)CC(=O)C)OC(=O)C)COC(=O)C

XLogP

3.192

PSA

142.690

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 9 of 42 [TOP]

Compound ID

1418

Compound Structure

Plant Source

Cephaelis dichroa Common Name:

Source Family

Rubiaceae

Origin

Mexico

Plant Part Used

Aerial

Extract

Target Bacteria

Mycobacterium tuberculosis (M20)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (25 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Strictosidine

PubChem ID

161336

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Alkaloid, Indole, Pyran, Ester, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

530.226

Molecular Formula

C₂₇H₃₄N₂O₉

SMILES

O([C@@H]1OC=C([C@@H](C[C@@H]2NCCc3c2[nH]c2c3cccc2)[C@H]1C=C)C(=O)OC)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO

XLogP

1.559

PSA

162.730

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 42 [TOP]

Compound ID

1419

Compound Structure

Plant Source

Cephaelis dichroa Common Name:

Source Family

Rubiaceae

Origin

Mexico

Plant Part Used

Aerial

Extract

Target Bacteria

Mycobacterium tuberculosis (M20)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (25 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Peracetyl - Strictosidine Lactam

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Pentacyclic, Alkaloid, Carbazole, Pyran, Isoquinoline, O-Acetyl, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

650.284

Molecular Formula

C₃₅H₄₂N₂O₁₀

SMILES

C1cccc2c1c1c([nH]2)C2N(CC1)CC1=COC(C(C1C2)C=C)OC1O[C@H]([C@@H]([C@H]([C@@H]1OC(=O)C)CC(=O)C)OC(=O)C)COC(=O)C

XLogP

3.192

PSA

142.690

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 11 of 42 [TOP]

Compound ID

1523

Compound Structure

Plant Source

Combretum molle R. Br. Ex G. Don Common Name:Velvet Leaf Willow, Velvet Leaf Combretum, Velvet Bush Willow

Source Family

Combretaceae

Origin

Africa

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

0.6 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Punicalagin

PubChem ID

16149716

Ethnomedicinal Information

Cough, tuberculosis, juice drunk to treat chest complaints

PubMed ID [Source Literature]

15110681

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Polyphenol, Ellagitannin, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

0.000

Molecular Formula

C₄₈H₂₈O₃₀

SMILES

O1[C@H]2[C@@H](OC(=O)c3c(c4c5c6c7c(c(c8c(C(=O)OC2)cc(O)c(O)c8O)c(O)c(O)c7oc5=O)c(=O)oc6c(O)c4O)c(O)c(O)c(O)c3)[C@@H]2OC(=O)c3c(c4c(C(=O)O[C@H]2[C@H]1O)cc(O)c(O)c4O)c(O)c(O)c(O)c3

XLogP

0.000

PSA

0.000

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) Okunade AL, Elvin-Lewis MP, Lewis WH.Natural antimycobacterial metabolites: current status.Phytochemistry. 2004 Apr;65(8):1017-32

Curator

Record - 12 of 42 [TOP]

Compound ID

1931

Compound Structure

Plant Source

Ipomoea leptophylla Common Name:Bush Morning Glory, Manroot

Source Family

Convolvulaceae

Origin

North America

Plant Part Used

Leaf

Extract

Soluble extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

BACTEC 460 radiometric system

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

NR (inactive)

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Operculinic acid

PubChem ID

44584575

Ethnomedicinal Information

Treatment for stomach troubles, tuberculosis

PubMed ID [Source Literature]

14640518

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aliphatic, Fatty acid, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

1018.520

Molecular Formula

C₄₆H₈₂O₂₄

SMILES

O([C@@H]1O[C@H]([C@H](O[C@@H]2O[C@H]([C@H](O)[C@@H](O)[C@H]2O)C)[C@@H](O)[C@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)C)[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O[C@H]1C)O[C@@H]1[C@@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CCCCCCCCCC(=O)O)CCCCC)C

XLogP

1.041

PSA

372.360

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) Barnes CC, Smalley MK, Manfredi KP, Kindscher K, Loring H, Sheeley DM.Characterization of an anti-tuberculosis resin glycoside from the prairie medicinal plant Ipomoea leptophylla.J Nat Prod. 2003 Nov;66(11):1457-62

Curator

Record - 13 of 42 [TOP]

Compound ID

2620

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

Monoacetate

PubChem ID

3035155

Ethnomedicinal Information

Anti - inflammatory, tuberculosis

PubMed ID [Source Literature]

7772306

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Lactone, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

806.445

Molecular Formula

C₄₃H₆₆O₁₄

SMILES

OC12[C@H]3[C@@H]([C@@]4([C@H](CC3)C[C@@H](O[C@H]3O[C@@H]([C@@H](O[C@H]5O[C@@H]([C@@H](OC(=O)C)[C@@H](O)C5)C)[C@@H](O[C@H]5O[C@@H]([C@@H](O)[C@@H](O)C5)C)C3)C)CC4)C)CC[C@@]1([C@H](CC2)C1=CC(=O)OC1)C

XLogP

4.155

PSA

188.900

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

Curator

Record - 14 of 42 [TOP]

Compound ID

2966

Compound Structure

Plant Source

Haloxylon salicornicum Bunge ex Boiss Common Name:NR

Source Family

Chenopodiaceae

Origin

Pakistan, Egypt, Jordan, Palestine, Iran, Iraq and Kuwait (in unfertile areas)

Plant Part Used

Whole plant

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Micro Broth Dilution Method

Positive Control Used (conc.)

Isoniazid (0.02 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

24β (24S)-Ethyl-cholesta-4-22 E diene 3-O-β-D-glucoside

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

20542692

Extract Preparation

Methanol extract further partitioned with water and hexane. The water layer was further extracted with chloroform and subjected to silica gel column chromatography

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9 broth

Cytotoxicity Assay [AID]

Molecular Weight

588.439

Molecular Formula

C₃₆H₆₀O₆

SMILES

C1CC(C=C2[C@]1([C@@H]1[C@@](CC2)([C@H]2[C@](CC1)(C(CC2)[C@@H](/C=C/[C@H](C(C)C)CC)C)C)C)C)OC1O[C@@H]([C@H]([C@H](O)[C@H]1O)O)CO

XLogP

10.835

PSA

99.380

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) Bibi N, Tanoli SA, Farheen S, Afza N, Siddiqi S, Zhang Y, Kazmi SU, Malik A.In vitro antituberculosis activities of the constituents isolated from Haloxylon salicornicum.Bioorg Med Chem Lett. 2010 Jul 15;20(14):4173-6

Curator

KeyaMukherjee, vsheeba

Record - 15 of 42 [TOP]

Compound ID

2967

Compound Structure

Plant Source

Haloxylon salicornicum Bunge ex Boiss Common Name:NR

Source Family

Chenopodiaceae

Origin

Pakistan, Egypt, Jordan, Palestine, Iran, Iraq and Kuwait (in unfertile areas)

Plant Part Used

Whole plant

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Micro Broth Dilution Method

Positive Control Used (conc.)

Isoniazid (0.02 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

24β (24S)-Ethyl cholesta-4-22 E diene 3-O-α-L-rhamnoside

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

20542692

Extract Preparation

Methanol extract further partitioned with water and hexane. The water layer was further extracted with chloroform and subjected to silica gel column chromatography

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9 broth

Cytotoxicity Assay [AID]

Molecular Weight

558.428

Molecular Formula

C₃₅H₅₈O₅

SMILES

C1CC(C=C2[C@]1([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)(C(CC2)[C@@H](/C=C/[C@H](C(C)C)CC)C)C)C)OC1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O

XLogP

10.932

PSA

79.150

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

KeyaMukherjee, vsheeba

Record - 16 of 42 [TOP]

Compound ID

2968

Compound Structure

Plant Source

Haloxylon salicornicum Bunge ex Boiss Common Name:NR

Source Family

Chenopodiaceae

Origin

Pakistan, Egypt, Jordan, Palestine, Iran, Iraq and Kuwait (in unfertile areas)

Plant Part Used

Whole plant

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Micro Broth Dilution Method

Positive Control Used (conc.)

Isoniazid (0.02 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Stigmasterol-3-O-β-D-glucopyranoside

PubChem ID

44237224

Ethnomedicinal Information

Healing of internal ulcers, insect stings

PubMed ID [Source Literature]

20542692

Extract Preparation

Methanol extract further partitioned with water and hexane. The water layer was further extracted with chloroform and subjected to silica gel column chromatography

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9 broth

Cytotoxicity Assay [AID]

Molecular Weight

574.423

Molecular Formula

C₃₅H₅₈O₆

SMILES

O([C@@H]1CC2=CCC3C4[C@@](C(CC4)[C@H](C)/C=C/[C@H](C(C)C)CC)(CCC3[C@]2(CC1)C)C)C1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO

XLogP

9.963

PSA

99.380

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)

Curator

KeyaMukherjee, vsheeba

Record - 17 of 42 [TOP]

Compound ID

3044

Compound Structure

Plant Source

Alpinia purpurata (Vieill.) K. Schum Common Name:Red Ginger

Source Family

Zingiberaceae

Origin

Philippines

Plant Part Used

Leaf

Extract

Ethanol

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (99% inhibition at 0.18 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 128 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Sitosteryl - 3 - O - 6 - Palmitoyl - β - D - glucoside

PubChem ID

Ethnomedicinal Information

Antiviral activity against HIV

PubMed ID [Source Literature]

21120040

Extract Preparation

Air dried leaves mixed with ethanol, hexane, dichloromethane and n - butanol

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Triterpene, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H11 agar

Cytotoxicity Assay [AID]

Plant sterols, particularly U - Sitosterol and its glucosides, have been investigated as immune regulators of T - cell activity and as agents in maintaining the CD4+ count

Molecular Weight

646.481

Molecular Formula

C₃₉H₆₆O₇

SMILES

C1C[C@@H](CC2=CCC3C([C@@]12C)CC[C@@]1([C@H](CCC31)[C@H](C)CC[C@@H](CC)C(C)C)C)OC1OC(C(C(C1O)O)O)COC(=O)CCC

XLogP

11.620

PSA

105.450

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) Villaflores OB, Macabeo AP, Gehle D, Krohn K, Franzblau SG, Aguinaldo AM.Phytoconstituents from Alpinia purpurata and their in vitro inhibitory activity against Mycobacterium tuberculosis.Pharmacogn Mag. 2010 Oct;6(24):339-44

Curator

Vikramjitmandal

Record - 18 of 42 [TOP]

Compound ID

3045

Compound Structure

Plant Source

Alpinia purpurata (Vieill.) K. Schum Common Name:Red Ginger

Source Family

Zingiberaceae

Origin

Philippines

Plant Part Used

Leaf

Extract

Ethanol

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (99% inhibition at 0.18 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 128 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

β - Sitosteryl Galactoside

PubChem ID

Ethnomedicinal Information

Antiviral activity against HIV

PubMed ID [Source Literature]

21120040

Extract Preparation

Air dried leaves mixed with ethanol, hexane, dichloromethane and n - butanol

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H11 agar

Cytotoxicity Assay [AID]

Plant sterols, particularly U - Sitosterol and its glucosides, have been investigated as immune regulators of T - cell activity and as agents in maintaining the CD4+ count

Molecular Weight

576.439

Molecular Formula

C₃₅H₆₀O₆

SMILES

C1C[C@@H](CC2=CCC3C([C@@]12C)CC[C@@]1([C@H](CCC31)[C@H](C)CC[C@@H](CC)C(C)C)C)OC1OC(C(C(C1O)O)O)CO

XLogP

10.487

PSA

99.380

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)

Curator

Vikramjitmandal

Record - 19 of 42 [TOP]

Compound ID

3298

Compound Structure

Plant Source

Euphorbia peplis L. Common Name:

Source Family

Euphorbiaceae

Origin

India, Northern Italy

Plant Part Used

Leaf, stem

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Positive Control Used (conc.)

Ciprofloxacin (0.125 – 0.25 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 160 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

1 - O - (β - D - Glucopyranosyl) - (2S, 3S, 4R, 8Z) - 2N - [(2R) - 2 - Hydroxytetracosenoil] - 8 (Z) - Octadecene - 1, 3, 4 - Triol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

14643323

Extract Preparation

Chemical Classification [Active Compound]

Aliphatic, Alkene, Cerebroside, Amide, Alcohol, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

843.680

Molecular Formula

C₄₈H₉₃NO₁₀

SMILES

C(=O)(N[C@@H](CO[C@@H]1OC(C([C@H]([C@@H]1O)O)O)CO)[C@H](O)[C@@H](CCC/C=C/CCCCCCCCC)O)[C@H](O)CCCCCCCCCCCCCCCCCCCCCC

XLogP

14.906

PSA

189.170

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) Cateni F, Zilic J, Falsone G, Scialino G, Banfi E.New cerebrosides from Euphorbia peplis L.: antimicrobial activity evaluation.Bioorg Med Chem Lett. 2003 Dec 15;13(24):4345-50

Curator

Vsheeba, vikramjitmandal

Record - 20 of 42 [TOP]

Compound ID

3299

Compound Structure

Plant Source

Euphorbia peplis L. Common Name:

Source Family

Euphorbiaceae

Origin

India, Northern Italy

Plant Part Used

Leaf, stem

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Positive Control Used (conc.)

Ciprofloxacin (0.25 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

40 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

1 - O - (β - D - Glucopyranosyl) - (2S, 3S, 4R, 8Z) - 2N - [(2R) - 2 - Hydroxyhexacosenoil] - 8 (Z) - Octadecene - 1, 3, 4 - Triol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

14643323

Extract Preparation

Chemical Classification [Active Compound]

Aliphatic, Alkene, Cerebroside, Amide, Alcohol, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

869.696

Molecular Formula

C₅₀H₉₅NO₁₀

SMILES

C(=O)(N[C@@H](CO[C@@H]1OC(C([C@H]([C@@H]1O)O)O)CO)[C@H](O)[C@@H](CCC/C=C/CCCCCCCCC)O)[C@H](O)CCCCCCCCCCCCCC/C=C/CCCCCCCC

XLogP

15.528

PSA

189.170

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) Cateni F, Zilic J, Falsone G, Scialino G, Banfi E.New cerebrosides from Euphorbia peplis L.: antimicrobial activity evaluation.Bioorg Med Chem Lett. 2003 Dec 15;13(24):4345-50

Curator

Vsheeba, vikramjitmandal

Record - 21 of 42 [TOP]

Compound ID

3300

Compound Structure

Plant Source

Euphorbia peplis L. Common Name:

Source Family

Euphorbiaceae

Origin

India, Northern Italy

Plant Part Used

Leaf, stem

Extract

Target Bacteria

Mycobacterium tuberculosis H242

Assay / Test Done

Positive Control Used (conc.)

Ciprofloxacin (0.125 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 160 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

1 - O - (β - D - Glucopyranosyl) - (2S, 3S, 4R, 8Z) - 2N - [(2R) - 2 - Hydroxytetracosanoil] - 8 (Z) - Octadecene - 1, 3, 4 - Triol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

14643323

Extract Preparation

Chemical Classification [Active Compound]

Aliphatic, Alkene, Cerebroside, Amide, Alcohol, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

843.680

Molecular Formula

C₄₈H₉₃NO₁₀

SMILES

C(=O)(N[C@@H](CO[C@@H]1OC(C([C@H]([C@@H]1O)O)O)CO)[C@H](O)[C@@H](CCC/C=C/CCCCCCCCC)O)[C@H](O)CCCCCCCCCCCCCCCCCCCCCC

XLogP

14.906

PSA

189.170

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) Cateni F, Zilic J, Falsone G, Scialino G, Banfi E.New cerebrosides from Euphorbia peplis L.: antimicrobial activity evaluation.Bioorg Med Chem Lett. 2003 Dec 15;13(24):4345-50

Curator

Vsheeba, vikramjitmandal

Record - 22 of 42 [TOP]

Compound ID

3301

Compound Structure

Plant Source

Euphorbia peplis L. Common Name:

Source Family

Euphorbiaceae

Origin

India, Northern Italy

Plant Part Used

Leaf, stem

Extract

Target Bacteria

Mycobacterium tuberculosis H172

Assay / Test Done

Positive Control Used (conc.)

Ciprofloxacin (0.25 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 160 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

1 - O - (β - D - Glucopyranosyl) - (2S, 3S, 4E, 8E) - 2N - [(2R) - 2 - Hydroxyhexadecanoylamino] - 4 (E), 8 (E) - Octadecadiene - 1, 3 - Diol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

14643323

Extract Preparation

Chemical Classification [Active Compound]

Aliphatic, Alkene, Cerebroside, Amide, Alcohol, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

713.544

Molecular Formula

C₄₀H₇₅NO₉

SMILES

C(=O)(N[C@@H](CO[C@@H]1OC(C([C@H]([C@@H]1O)O)O)CO)[C@H](O)/C=C/CCC/C=C/CCCCCCCC)[C@H](O)CCCCCCCCCCCCCC

XLogP

11.345

PSA

168.940

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) Cateni F, Zilic J, Falsone G, Scialino G, Banfi E.New cerebrosides from Euphorbia peplis L.: antimicrobial activity evaluation.Bioorg Med Chem Lett. 2003 Dec 15;13(24):4345-50

Curator

Vsheeba, vikramjitmandal

Record - 23 of 42 [TOP]

Compound ID

3303

Compound Structure

Plant Source

Euphorbia peplis L. Common Name:

Source Family

Euphorbiaceae

Origin

India, Northern Italy

Plant Part Used

Leaf, stem

Extract

Target Bacteria

Mycobacterium tuberculosis H331

Assay / Test Done

Positive Control Used (conc.)

Ciprofloxacin (0.125 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

40 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

1 - O - (β - D - Glucopyranosyl) - (2S, 3S, 4R, 8Z) - 2N - [(2R) - 2 - Hydroxyhexacosenoil] - 8 (Z) - Octadecene - 1, 3, 4 - Triol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

14643323

Extract Preparation

Chemical Classification [Active Compound]

Aliphatic, Alkene, Cerebroside, Amide, Alcohol, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

869.696

Molecular Formula

C₅₀H₉₅NO₁₀

SMILES

C(=O)(N[C@@H](CO[C@@H]1OC(C([C@H]([C@@H]1O)O)O)CO)[C@H](O)[C@@H](CCC/C=C/CCCCCCCCC)O)[C@H](O)CCCCCCCCCCCCCC/C=C/CCCCCCCC

XLogP

15.528

PSA

189.170

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) Cateni F, Zilic J, Falsone G, Scialino G, Banfi E.New cerebrosides from Euphorbia peplis L.: antimicrobial activity evaluation.Bioorg Med Chem Lett. 2003 Dec 15;13(24):4345-50

Curator

Vsheeba, vikramjitmandal

Record - 24 of 42 [TOP]

Compound ID

3304

Compound Structure

Plant Source

Euphorbia peplis L. Common Name:

Source Family

Euphorbiaceae

Origin

India, Northern Italy

Plant Part Used

Leaf, stem

Extract

Target Bacteria

Mycobacterium tuberculosis H242

Assay / Test Done

Positive Control Used (conc.)

Ciprofloxacin (0.125 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

80 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

1 - O - (β - D - Glucopyranosyl) - (2S, 3S, 4R, 8Z) - 2N - [(2R) - 2 - Hydroxyhexacosenoil] - 8 (Z) - Octadecene - 1, 3, 4 - Triol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

14643323

Extract Preparation

Chemical Classification [Active Compound]

Aliphatic, Alkene, Cerebroside, Amide, Alcohol, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

869.696

Molecular Formula

C₅₀H₉₅NO₁₀

SMILES

C(=O)(N[C@@H](CO[C@@H]1OC(C([C@H]([C@@H]1O)O)O)CO)[C@H](O)[C@@H](CCC/C=C/CCCCCCCCC)O)[C@H](O)CCCCCCCCCCCCCC/C=C/CCCCCCCC

XLogP

15.528

PSA

189.170

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) Cateni F, Zilic J, Falsone G, Scialino G, Banfi E.New cerebrosides from Euphorbia peplis L.: antimicrobial activity evaluation.Bioorg Med Chem Lett. 2003 Dec 15;13(24):4345-50

Curator

Vsheeba, vikramjitmandal

Record - 25 of 42 [TOP]

Compound ID

3305

Compound Structure

Plant Source

Euphorbia peplis L. Common Name:

Source Family

Euphorbiaceae

Origin

India, Northern Italy

Plant Part Used

Leaf, stem

Extract

Target Bacteria

Mycobacterium tuberculosis H172

Assay / Test Done

Positive Control Used (conc.)

Ciprofloxacin (0.25 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

40 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

1 - O - (β - D - Glucopyranosyl) - (2S, 3S, 4R, 8Z) - 2N - [(2R) - 2 - Hydroxyhexacosenoil] - 8 (Z) - Octadecene - 1, 3, 4 - Triol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

14643323

Extract Preparation

Chemical Classification [Active Compound]

Aliphatic, Alkene, Cerebroside, Amide, Alcohol, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

869.696

Molecular Formula

C₅₀H₉₅NO₁₀

SMILES

C(=O)(N[C@@H](CO[C@@H]1OC(C([C@H]([C@@H]1O)O)O)CO)[C@H](O)[C@@H](CCC/C=C/CCCCCCCCC)O)[C@H](O)CCCCCCCCCCCCCC/C=C/CCCCCCCC

XLogP

15.528

PSA

189.170

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) Cateni F, Zilic J, Falsone G, Scialino G, Banfi E.New cerebrosides from Euphorbia peplis L.: antimicrobial activity evaluation.Bioorg Med Chem Lett. 2003 Dec 15;13(24):4345-50

Curator

Vsheeba, vikramjitmandal

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