BioPhytMol: A database of Phytomolecules against Mycobacteria

| Home |

Simple Search

Query Builder

Structure Search

Browse |

Similarity

One to One

One to Many

Data Visualization |

Submission |

Page - 1 of 2 Record - 1 of 27 [TOP]

Compound ID

3074

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium aurum (Pasteur Institute 104482)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (0.5 µg/ml), Isoniazid (2 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ferulenol

PubChem ID

54679300

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

366.219

Molecular Formula

C₂₄H₃₀O₃

SMILES

O1c2c(c(O)c(C/C=C(/CC/C=C(/CCC=C(C)C)C)C)c1=O)cccc2

XLogP

8.182

PSA

37.300

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) Appendino G, Mercalli E, Fuzzati N, Arnoldi L, Stavri M, Gibbons S, Ballero M, Maxia A.Antimycobacterial coumarins from the sardinian giant fennel (Ferula communis).J Nat Prod. 2004 Dec;67(12):2108-10

Curator

Vsheeba, vikramjitmandal

Record - 2 of 27 [TOP]

Compound ID

3075

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium fortuitum (ATCC 6841)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (8 µg/ml), Isoniazid (0.5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ferulenol

PubChem ID

54679300

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

366.219

Molecular Formula

C₂₄H₃₀O₃

SMILES

O1c2c(c(O)c(C/C=C(/CC/C=C(/CCC=C(C)C)C)C)c1=O)cccc2

XLogP

8.182

PSA

37.300

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Vsheeba, vikramjitmandal

Record - 3 of 27 [TOP]

Compound ID

3076

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium phlei (ATCC 11758)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (2 µg/ml), Isoniazid (4 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ferulenol

PubChem ID

54679300

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

366.219

Molecular Formula

C₂₄H₃₀O₃

SMILES

O1c2c(c(O)c(C/C=C(/CC/C=C(/CCC=C(C)C)C)C)c1=O)cccc2

XLogP

8.182

PSA

37.300

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Vsheeba, vikramjitmandal

Record - 4 of 27 [TOP]

Compound ID

3077

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium smegmatis (ATCC 14468)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (0.5 µg/ml), Isoniazid (1 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

0.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ferulenol

PubChem ID

54679300

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

366.219

Molecular Formula

C₂₄H₃₀O₃

SMILES

O1c2c(c(O)c(C/C=C(/CC/C=C(/CCC=C(C)C)C)C)c1=O)cccc2

XLogP

8.182

PSA

37.300

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Vsheeba, vikramjitmandal

Record - 5 of 27 [TOP]

Compound ID

3078

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium fortuitum (ATCC 6841)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (8 µg/ml), Isoniazid (0.5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

16 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

E - ω - Benzoyloxyferulenol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol, Benzoyl

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

486.241

Molecular Formula

C₃₁H₃₄O₅

SMILES

C1ccc2c(c1)c(c(c(=O)o2)C/C=C(/CC/C=C(/CC/C=C(/COC(=O)c1ccccc1)C)C)C)O

XLogP

8.550

PSA

63.600

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 27 [TOP]

Compound ID

3079

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium phlei (ATCC 11758)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (2 µg/ml), Isoniazid (4 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

E - ω - Benzoyloxyferulenol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol, Benzoyl

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

486.241

Molecular Formula

C₃₁H₃₄O₅

SMILES

C1ccc2c(c1)c(c(c(=O)o2)C/C=C(/CC/C=C(/CC/C=C(/COC(=O)c1ccccc1)C)C)C)O

XLogP

8.550

PSA

63.600

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 27 [TOP]

Compound ID

3080

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium aurum (Pasteur Institute 104482)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (0.5 µg/ml), Isoniazid (2 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

8 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

E - ω - Benzoyloxyferulenol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol, Benzoyl

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

486.241

Molecular Formula

C₃₁H₃₄O₅

SMILES

C1ccc2c(c1)c(c(c(=O)o2)C/C=C(/CC/C=C(/CC/C=C(/COC(=O)c1ccccc1)C)C)C)O

XLogP

8.550

PSA

63.600

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 27 [TOP]

Compound ID

3081

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium smegmatis (ATCC 144680)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (0.5 µg/ml), Isoniazid (1 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

E - ω - Benzoyloxyferulenol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol, Benzoyl

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

486.241

Molecular Formula

C₃₁H₃₄O₅

SMILES

C1ccc2c(c1)c(c(c(=O)o2)C/C=C(/CC/C=C(/CC/C=C(/COC(=O)c1ccccc1)C)C)C)O

XLogP

8.550

PSA

63.600

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 27 [TOP]

Compound ID

3082

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium fortuitum (ATCC 6841)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (8 µg/ml), Isoniazid (0.5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

64 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

E - ω - Hydroxyferulenol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

382.214

Molecular Formula

C₂₄H₃₀O₄

SMILES

C1ccc2c(c1)c(c(c(=O)o2)C/C=C(/CC/C=C(/CC/C=C(/CO)C)C)C)O

XLogP

5.064

PSA

57.530

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Vikramjitmandal

Record - 10 of 27 [TOP]

Compound ID

3083

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium phlei (ATCC 11758)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (2 µg/ml), Isoniazid (4 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

16 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

E - ω - Hydroxyferulenol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

382.214

Molecular Formula

C₂₄H₃₀O₄

SMILES

C1ccc2c(c1)c(c(c(=O)o2)C/C=C(/CC/C=C(/CC/C=C(/CO)C)C)C)O

XLogP

5.064

PSA

57.530

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Vikramjitmandal

Record - 11 of 27 [TOP]

Compound ID

3084

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium aurum (Pasteur Institute 104482)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (0.5 µg/ml), Isoniazid (2 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

32 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

E - ω - Hydroxyferulenol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

382.214

Molecular Formula

C₂₄H₃₀O₄

SMILES

C1ccc2c(c1)c(c(c(=O)o2)C/C=C(/CC/C=C(/CC/C=C(/CO)C)C)C)O

XLogP

5.064

PSA

57.530

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Vikramjitmandal

Record - 12 of 27 [TOP]

Compound ID

3085

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium smegmatis (ATCC 144680)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (0.5 µg/ml), Isoniazid (1 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

16 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

E - ω - Hydroxyferulenol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

382.214

Molecular Formula

C₂₄H₃₀O₄

SMILES

C1ccc2c(c1)c(c(c(=O)o2)C/C=C(/CC/C=C(/CC/C=C(/CO)C)C)C)O

XLogP

5.064

PSA

57.530

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Vikramjitmandal

Record - 13 of 27 [TOP]

Compound ID

3086

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium fortuitum (ATCC 6841)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (8 µg/ml), Isoniazid (0.5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

32 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

ω - acetoxy derivative of ferulenol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, O-Acetyl, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

424.225

Molecular Formula

C₂₆H₃₂O₅

SMILES

C1cccc2c1c(c(c(=O)o2)C/C=C(/CC/C=C(/CC/C=C(/COC(=O)C)C)C)C)O

XLogP

5.804

PSA

63.600

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 27 [TOP]

Compound ID

3087

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium phlei (ATCC 11758)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (2 µg/ml), Isoniazid (4 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

8 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

ω - acetoxy derivative of ferulenol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, O-Acetyl, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

424.225

Molecular Formula

C₂₆H₃₂O₅

SMILES

C1cccc2c1c(c(c(=O)o2)C/C=C(/CC/C=C(/CC/C=C(/COC(=O)C)C)C)C)O

XLogP

5.804

PSA

63.600

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 27 [TOP]

Compound ID

3088

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium aurum (Pasteur Institute 104482)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (0.5 µg/ml), Isoniazid (2 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

16 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

ω - acetoxy derivative of ferulenol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, O-Acetyl, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

424.225

Molecular Formula

C₂₆H₃₂O₅

SMILES

C1cccc2c1c(c(c(=O)o2)C/C=C(/CC/C=C(/CC/C=C(/COC(=O)C)C)C)C)O

XLogP

5.804

PSA

63.600

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 27 [TOP]

Compound ID

3089

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium smegmatis (ATCC 144680)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (0.5 µg/ml), Isoniazid (1 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

8 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

ω - acetoxy derivative of ferulenol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, O-Acetyl, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

424.225

Molecular Formula

C₂₆H₃₂O₅

SMILES

C1cccc2c1c(c(c(=O)o2)C/C=C(/CC/C=C(/CC/C=C(/COC(=O)C)C)C)C)O

XLogP

5.804

PSA

63.600

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 27 [TOP]

Compound ID	3294
Compound Structure
Plant Source	Euphorbia peplis L. Common Name:
Source Family	Euphorbiaceae
Origin	India, Northern Italy
Plant Part Used	Leaf, stem
Extract	Methanol
Target Bacteria	Mycobacterium tuberculosis H37Rv
Assay / Test Done	Agar - Dilution Test
Positive Control Used (conc.)	Ciprofloxacin (0.125 – 0.25 µg/ml)
Inhibition [%]
Activity [MIC] µg/ml	80 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information
PubMed ID [Source Literature]	14643323
Extract Preparation
Chemical Classification [Active Compound]
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
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 - 18 of 27 [TOP]

Compound ID	3295
Compound Structure
Plant Source	Euphorbia peplis L. Common Name:
Source Family	Euphorbiaceae
Origin	India, Northern Italy
Plant Part Used	Leaf, stem
Extract	Methanol
Target Bacteria	Mycobacterium tuberculosis H331
Assay / Test Done
Positive Control Used (conc.)	Ciprofloxacin (0.125 – 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
PubChem ID	NR
Ethnomedicinal Information
PubMed ID [Source Literature]	14643323
Extract Preparation
Chemical Classification [Active Compound]
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
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 - 19 of 27 [TOP]

Compound ID	3296
Compound Structure
Plant Source	Euphorbia peplis L. Common Name:
Source Family	Euphorbiaceae
Origin	India, Northern Italy
Plant Part Used	Leaf, stem
Extract	Methanol
Target Bacteria	Mycobacterium tuberculosis H242
Assay / Test Done
Positive Control Used (conc.)	Ciprofloxacin (0.125 – 0.25 µg/ml)
Inhibition [%]
Activity [MIC] µg/ml	80 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information
PubMed ID [Source Literature]	14643323
Extract Preparation
Chemical Classification [Active Compound]
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
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 27 [TOP]

Compound ID	3297
Compound Structure
Plant Source	Euphorbia peplis L. Common Name:
Source Family	Euphorbiaceae
Origin	India, Northern Italy
Plant Part Used	Leaf, stem
Extract	Methanol
Target Bacteria	Mycobacterium tuberculosis H172
Assay / Test Done
Positive Control Used (conc.)	Ciprofloxacin (0.125 – 0.25 µg/ml)
Inhibition [%]
Activity [MIC] µg/ml	80 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information
PubMed ID [Source Literature]	14643323
Extract Preparation
Chemical Classification [Active Compound]
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
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 27 [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 - 22 of 27 [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 - 23 of 27 [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 - 24 of 27 [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 - 25 of 27 [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

Developed by: CSIR- OSDD Unit, Delhi, India and Hosted by: Bioinformatics Centre, Institute of Microbial Technology, Sec-39A, Chandigarh, India.
The website has been tested on the latest version of Google Chrome (34.0.1847.137 m) and Mozilla Firefox (29.0.1)