BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 1 Record - 1 of 8 [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 - 2 of 8 [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 - 3 of 8 [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 - 4 of 8 [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 - 5 of 8 [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 - 6 of 8 [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 - 7 of 8 [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

Record - 8 of 8 [TOP]

Compound ID

4115

Compound Structure

Plant Source

Euphorbia platyphyllos Common Name:

Source Family

Euphorbiaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv and Mycobacterium tuberculosis H242

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

40 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

EJMC237

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Aliphatic, Alkene, Cerebroside, Amide, Alcohol, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

897.727

Molecular Formula

C₅₂H₉₉NO₁₀

SMILES

O=C([C@H](O)CCCCCCCCCCCCCCCC/C=CCCCCCCCC)N[C@H]([C@H](O)[C@H](O)CCC/C=CCCCCCCCCC)CO[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O1

XLogP

16.666

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) In silico Comparison of Antimycobacterial Natural Products with Known Antituberculosis Drugs. Marlene Espinoza-Moraga, Nicholas M. Njuguna, Grace Mugumbate, Julio Caballero, and Kelly Chibale. Journal of Chemical Information and Modeling 2013 53 (3), 649-660

2) García, A., Bocanegra-García, V., Palma-Nicolás, J. P., Rivera, G. Vennerstrom, J. L. Recent Advances in Antitubercular Natural Products. Eur. J. Med. Chem. 2012, 49, 1-23

Curator

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