BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 2 Record - 1 of 31 [TOP]

Compound ID

3678

Compound Structure

Plant Source

Evodia rutaecarpa (Juss.) Benth. Common Name:

Source Family

Rutaceae

Origin

Plant Part Used

Unripe Fruit

Extract

N - hexane

Target Bacteria

Mycobacterium fortuitum (ATCC 6841)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (16 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

1 - Methyl - 4 - Methylidene - 2 - Tetradecyl - 1, 4 - Dihydroquinoline

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

16051468

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkaloid, Quinolone, Ketone

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

313.241

Molecular Formula

C₂₁H₃₁NO

SMILES

C1cccc2c1n(c(cc2=O)CCCCCCCCCCC)C

XLogP

7.530

PSA

17.070

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) Adams M, Wube AA, Bucar F, Bauer R, Kunert O, Haslinger E.Quinolone alkaloids from Evodia rutaecarpa: a potent new group of antimycobacterial compounds.Int J Antimicrob Agents. 2005 Sep;26(3):262-4

Curator

Vsheeba, vikramjitmandal

Record - 2 of 31 [TOP]

Compound ID

3679

Compound Structure

Plant Source

Evodia rutaecarpa (Juss.) Benth. Common Name:

Source Family

Rutaceae

Origin

Plant Part Used

Unripe Fruit

Extract

N - hexane

Target Bacteria

Mycobacterium fortuitum (ATCC 6841)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (16 µg/ml), Isoniazid (2 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

4 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

1 - Methyl - 4 - Methylidene - 2 - [(6E) - Undec - 6 - En - 1 - Yl] - 1, 4 - Dihydroquinoline

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

16051468

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Alkyl, Alkene, Alkaloid, Quinolone

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

311.225

Molecular Formula

C₂₁H₂₉NO

SMILES

CCCC/C=C/CCCCCc1cc(=O)c2c(cccc2)n1C

XLogP

7.014

PSA

17.070

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 31 [TOP]

Compound ID

3680

Compound Structure

Plant Source

Evodia rutaecarpa (Juss.) Benth. Common Name:

Source Family

Rutaceae

Origin

Plant Part Used

Unripe Fruit

Extract

N - hexane

Target Bacteria

Mycobacterium fortuitum (ATCC 6841)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (16 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

1 - Methyl - 4 - Methylidene - 2 - [(8E) - Tridec - 8 - En - 1 - Yl] - 1, 4 - Dihydroquinoline

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

16051468

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Quinolone, Alkene, Alkaloid

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

339.256

Molecular Formula

C₂₃H₃₃NO

SMILES

CCCC/C=C/CCCCCCCc1cc(=O)c2c(cccc2)n1C

XLogP

8.152

PSA

17.070

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 31 [TOP]

Compound ID

3681

Compound Structure

Plant Source

Evodia rutaecarpa (Juss.) Benth. Common Name:

Source Family

Rutaceae

Origin

Plant Part Used

Unripe Fruit

Extract

N - hexane

Target Bacteria

Mycobacterium fortuitum (ATCC 6841)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (16 µg/ml), Isoniazid (2 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

4 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

1 - Methyl - 4 - Methylidene - 2 - [(4E, 7E) - Trideca - 4, 7 - Dien - 1 - Yl] - 1, 4 - Dihydroquinoline

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

16051468

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Quinolone, Alkene, Alkaloid

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

337.241

Molecular Formula

C₂₃H₃₁NO

SMILES

CCCCC/C=C/C/C=C/CCCc1cc(=O)c2c(cccc2)n1C

XLogP

7.825

PSA

17.070

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 31 [TOP]

Compound ID

3682

Compound Structure

Plant Source

Evodia rutaecarpa (Juss.) Benth. Common Name:

Source Family

Rutaceae

Origin

Plant Part Used

Unripe Fruit

Extract

N - hexane

Target Bacteria

Mycobacterium fortuitum (ATCC 6841)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (16 µg/ml), Isoniazid (2 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

4 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

1 - Methyl - 4 - Methylidene - 2 - [(6E, 9E) - Pentadeca - 6, 9 - Dien - 1 - Yl] - 1, 4 - Dihydroquinoline

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

16051468

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Alkyl, Alkene, Alkaloid, Quinolone

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

365.272

Molecular Formula

C₂₅H₃₅NO

SMILES

CCCCC/C=C/C/C=C/CCCCCc1cc(=O)c2c(cccc2)n1C

XLogP

8.963

PSA

17.070

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 - 6 of 31 [TOP]

Compound ID

3683

Compound Structure

Plant Source

Evodia rutaecarpa (Juss.) Benth. Common Name:

Source Family

Rutaceae

Origin

Plant Part Used

Unripe Fruit

Extract

N - hexane

Target Bacteria

Mycobacterium smegmatis (ATCC 19429)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (1 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

1 - Methyl - 4 - Methylidene - 2 - Tetradecyl - 1, 4 - Dihydroquinoline

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

16051468

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkaloid, Quinolone, Ketone

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

313.241

Molecular Formula

C₂₁H₃₁NO

SMILES

C1cccc2c1n(c(cc2=O)CCCCCCCCCCC)C

XLogP

7.530

PSA

17.070

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 - 7 of 31 [TOP]

Compound ID

3684

Compound Structure

Plant Source

Evodia rutaecarpa (Juss.) Benth. Common Name:

Source Family

Rutaceae

Origin

Plant Part Used

Unripe Fruit

Extract

N - hexane

Target Bacteria

Mycobacterium smegmatis (ATCC 19429)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (1 µg/ml), Isoniazid (4 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

4 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

1 - Methyl - 4 - Methylidene - 2 - [(6E) - Undec - 6 - En - 1 - Yl] - 1, 4 - Dihydroquinoline

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

16051468

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Alkyl, Alkene, Alkaloid, Quinolone

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

311.225

Molecular Formula

C₂₁H₂₉NO

SMILES

CCCC/C=C/CCCCCc1cc(=O)c2c(cccc2)n1C

XLogP

7.014

PSA

17.070

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 - 8 of 31 [TOP]

Compound ID

3685

Compound Structure

Plant Source

Evodia rutaecarpa (Juss.) Benth. Common Name:

Source Family

Rutaceae

Origin

Plant Part Used

Unripe Fruit

Extract

N - hexane

Target Bacteria

Mycobacterium smegmatis (ATCC 19429)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (1 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

1 - Methyl - 4 - Methylidene - 2 - [(8E) - Tridec - 8 - En - 1 - Yl] - 1, 4 - Dihydroquinoline

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

16051468

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Quinolone, Alkene, Alkaloid

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

339.256

Molecular Formula

C₂₃H₃₃NO

SMILES

CCCC/C=C/CCCCCCCc1cc(=O)c2c(cccc2)n1C

XLogP

8.152

PSA

17.070

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 - 9 of 31 [TOP]

Compound ID

3686

Compound Structure

Plant Source

Evodia rutaecarpa (Juss.) Benth. Common Name:

Source Family

Rutaceae

Origin

Plant Part Used

Unripe Fruit

Extract

N - hexane

Target Bacteria

Mycobacterium smegmatis (ATCC 19429)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (1 µg/ml), Isoniazid (4 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

4 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

1 - Methyl - 4 - Methylidene - 2 - [(4E, 7E) - Trideca - 4, 7 - Dien - 1 - Yl] - 1, 4 - Dihydroquinoline

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

16051468

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Quinolone, Alkene, Alkaloid

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

337.241

Molecular Formula

C₂₃H₃₁NO

SMILES

CCCCC/C=C/C/C=C/CCCc1cc(=O)c2c(cccc2)n1C

XLogP

7.825

PSA

17.070

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 - 10 of 31 [TOP]

Compound ID

3687

Compound Structure

Plant Source

Evodia rutaecarpa (Juss.) Benth. Common Name:

Source Family

Rutaceae

Origin

Plant Part Used

Unripe Fruit

Extract

N - hexane

Target Bacteria

Mycobacterium smegmatis (ATCC 19429)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (1 µg/ml), Isoniazid (4 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

4 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

1 - Methyl - 4 - Methylidene - 2 - [(6E, 9E) - Pentadeca - 6, 9 - Dien - 1 - Yl] - 1, 4 - Dihydroquinoline

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

16051468

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Alkyl, Alkene, Alkaloid, Quinolone

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

365.272

Molecular Formula

C₂₅H₃₅NO

SMILES

CCCCC/C=C/C/C=C/CCCCCc1cc(=O)c2c(cccc2)n1C

XLogP

8.963

PSA

17.070

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 - 11 of 31 [TOP]

Compound ID

3688

Compound Structure

Plant Source

Evodia rutaecarpa (Juss.) Benth. Common Name:

Source Family

Rutaceae

Origin

Plant Part Used

Unripe Fruit

Extract

N - hexane

Target Bacteria

Mycobacterium phlei (ATCC 19249)

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

1 - Methyl - 4 - Methylidene - 2 - Tetradecyl - 1, 4 - Dihydroquinoline

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

16051468

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkaloid, Quinolone, Ketone

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

313.241

Molecular Formula

C₂₁H₃₁NO

SMILES

C1cccc2c1n(c(cc2=O)CCCCCCCCCCC)C

XLogP

7.530

PSA

17.070

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 - 12 of 31 [TOP]

Compound ID

3689

Compound Structure

Plant Source

Evodia rutaecarpa (Juss.) Benth. Common Name:

Source Family

Rutaceae

Origin

Plant Part Used

Unripe Fruit

Extract

N - hexane

Target Bacteria

Mycobacterium phlei (ATCC 19249)

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

1 - Methyl - 4 - Methylidene - 2 - [(6E) - Undec - 6 - En - 1 - Yl] - 1, 4 - Dihydroquinoline

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

16051468

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Alkyl, Alkene, Alkaloid, Quinolone

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

311.225

Molecular Formula

C₂₁H₂₉NO

SMILES

CCCC/C=C/CCCCCc1cc(=O)c2c(cccc2)n1C

XLogP

7.014

PSA

17.070

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 - 13 of 31 [TOP]

Compound ID

3690

Compound Structure

Plant Source

Evodia rutaecarpa (Juss.) Benth. Common Name:

Source Family

Rutaceae

Origin

Plant Part Used

Unripe Fruit

Extract

N - hexane

Target Bacteria

Mycobacterium phlei (ATCC 19249)

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

1 - Methyl - 4 - Methylidene - 2 - [(8E) - Tridec - 8 - En - 1 - Yl] - 1, 4 - Dihydroquinoline

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

16051468

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Quinolone, Alkene, Alkaloid

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

339.256

Molecular Formula

C₂₃H₃₃NO

SMILES

CCCC/C=C/CCCCCCCc1cc(=O)c2c(cccc2)n1C

XLogP

8.152

PSA

17.070

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 - 14 of 31 [TOP]

Compound ID

3691

Compound Structure

Plant Source

Evodia rutaecarpa (Juss.) Benth. Common Name:

Source Family

Rutaceae

Origin

Plant Part Used

Unripe Fruit

Extract

N - hexane

Target Bacteria

Mycobacterium phlei (ATCC 19249)

Assay / Test Done

Positive Control Used (conc.)

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

Inhibition [%]

Activity [MIC] µg/ml

4 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

1 - Methyl - 4 - Methylidene - 2 - [(4E, 7E) - Trideca - 4, 7 - Dien - 1 - Yl] - 1, 4 - Dihydroquinoline

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

16051468

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Quinolone, Alkene, Alkaloid

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

337.241

Molecular Formula

C₂₃H₃₁NO

SMILES

CCCCC/C=C/C/C=C/CCCc1cc(=O)c2c(cccc2)n1C

XLogP

7.825

PSA

17.070

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 - 15 of 31 [TOP]

Compound ID

3692

Compound Structure

Plant Source

Evodia rutaecarpa (Juss.) Benth. Common Name:

Source Family

Rutaceae

Origin

Plant Part Used

Unripe Fruit

Extract

N - hexane

Target Bacteria

Mycobacterium phlei (ATCC 19249)

Assay / Test Done

Positive Control Used (conc.)

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

Inhibition [%]

Activity [MIC] µg/ml

4 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

1 - Methyl - 4 - Methylidene - 2 - [(6E, 9E) - Pentadeca - 6, 9 - Dien - 1 - Yl] - 1, 4 - Dihydroquinoline

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

16051468

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Alkyl, Alkene, Alkaloid, Quinolone

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

365.272

Molecular Formula

C₂₅H₃₅NO

SMILES

CCCCC/C=C/C/C=C/CCCCCc1cc(=O)c2c(cccc2)n1C

XLogP

8.963

PSA

17.070

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 - 16 of 31 [TOP]

Compound ID

3762

Compound Structure

Plant Source

Laurus novocanariensis Common Name:

Source Family

Lauraceae

Origin

Plant Part Used

Ripe fruit

Extract

Laurel oil

Target Bacteria

Mycobacterium tuberculosis H37Rv (ATCC 27294)

Assay / Test Done

Fluorometric Alamar Blue Microassay (FMABA)

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Costunolide

PubChem ID

5281437

Ethnomedicinal Information

Anti-inflammatory, skin infections, anti-rheumatic, vulnerary, blood depurative, stomachic, haemostatic, influenza, apoplexy, constipation

PubMed ID [Source Literature]

17218447

Extract Preparation

Volatile components were removed by hydrodistillation of the oil in a Clevenger - type apparatus to yield the essential oil and an odourless residue containing the lipids and other non - volatile compounds. The residue was partitioned between n - hexane and methanol to separate the lipid fraction from the more polar compounds, including the lactones. The methanolic fraction containing mainly the lactones costunolide (1) and dehydrocostuslactone (2) was further fractioned by column chromatography. 1 and 2 were identified by their mass spectra, and proton and carbon NMR spectra and their purity established as > 95 % by gas chromatography

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Sesquiterpene, Lactone

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

232.146

Molecular Formula

C₁₅H₂₀O₂

SMILES

O1[C@H]2[C@@H](CC/C(=C/CC/C(=C/2)/C)/C)C(=C)C1=O

XLogP

3.308

PSA

26.300

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) Luna-Herrera J, Costa MC, González HG, Rodrigues AI, Castilho PC.Synergistic antimycobacterial activities of sesquiterpene lactones from Laurus spp.J Antimicrob Chemother. 2007 Mar;59(3):548-52

Curator

Vikramjitmandal

Record - 17 of 31 [TOP]

Compound ID

3763

Compound Structure

Plant Source

Laurus novocanariensis Common Name:

Source Family

Lauraceae

Origin

Plant Part Used

Ripe fruit

Extract

Laurel oil

Target Bacteria

Mycobacterium tuberculosis H37Rv (ATCC 35822) (Isoniazid resistant)

Assay / Test Done

Fluorometric Alamar Blue Microassay (FMABA)

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Costunolide

PubChem ID

5281437

Ethnomedicinal Information

Anti-inflammatory, skin infections, anti-rheumatic, vulnerary, blood depurative, stomachic, haemostatic, influenza, apoplexy, constipation

PubMed ID [Source Literature]

17218447

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Sesquiterpene, Lactone

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

232.146

Molecular Formula

C₁₅H₂₀O₂

SMILES

O1[C@H]2[C@@H](CC/C(=C/CC/C(=C/2)/C)/C)C(=C)C1=O

XLogP

3.308

PSA

26.300

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) Luna-Herrera J, Costa MC, González HG, Rodrigues AI, Castilho PC.Synergistic antimycobacterial activities of sesquiterpene lactones from Laurus spp.J Antimicrob Chemother. 2007 Mar;59(3):548-52

Curator

Vikramjitmandal

Record - 18 of 31 [TOP]

Compound ID

3764

Compound Structure

Plant Source

Laurus novocanariensis Common Name:

Source Family

Lauraceae

Origin

Plant Part Used

Ripe fruit

Extract

Laurel oil

Target Bacteria

Mycobacterium tuberculosis H37Rv (ATCC 35838) (Rifampin resistant)

Assay / Test Done

Fluorometric Alamar Blue Microassay (FMABA)

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

6.25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Costunolide

PubChem ID

5281437

Ethnomedicinal Information

Anti-inflammatory, skin infections, anti-rheumatic, vulnerary, blood depurative, stomachic, haemostatic, influenza, apoplexy, constipation

PubMed ID [Source Literature]

17218447

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Sesquiterpene, Lactone

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

232.146

Molecular Formula

C₁₅H₂₀O₂

SMILES

O1[C@H]2[C@@H](CC/C(=C/CC/C(=C/2)/C)/C)C(=C)C1=O

XLogP

3.308

PSA

26.300

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) Luna-Herrera J, Costa MC, González HG, Rodrigues AI, Castilho PC.Synergistic antimycobacterial activities of sesquiterpene lactones from Laurus spp.J Antimicrob Chemother. 2007 Mar;59(3):548-52

Curator

Vikramjitmandal

Record - 19 of 31 [TOP]

Compound ID

3765

Compound Structure

Plant Source

Laurus novocanariensis Common Name:

Source Family

Lauraceae

Origin

Plant Part Used

Ripe fruit

Extract

Laurel oil

Target Bacteria

Mycobacterium tuberculosis H37Rv (Streptomycin resistant)

Assay / Test Done

Fluorometric Alamar Blue Microassay (FMABA)

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Costunolide

PubChem ID

5281437

Ethnomedicinal Information

Anti-inflammatory, skin infections, anti-rheumatic, vulnerary, blood depurative, stomachic, haemostatic, influenza, apoplexy, constipation

PubMed ID [Source Literature]

17218447

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Sesquiterpene, Lactone

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

232.146

Molecular Formula

C₁₅H₂₀O₂

SMILES

O1[C@H]2[C@@H](CC/C(=C/CC/C(=C/2)/C)/C)C(=C)C1=O

XLogP

3.308

PSA

26.300

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) Luna-Herrera J, Costa MC, González HG, Rodrigues AI, Castilho PC.Synergistic antimycobacterial activities of sesquiterpene lactones from Laurus spp.J Antimicrob Chemother. 2007 Mar;59(3):548-52

Curator

Vikramjitmandal

Record - 20 of 31 [TOP]

Compound ID

3766

Compound Structure

Plant Source

Laurus novocanariensis Common Name:

Source Family

Lauraceae

Origin

Plant Part Used

Ripe fruit

Extract

Laurel oil

Target Bacteria

Mycobacterium tuberculosis H37Rv (ATCC 35837) (Ethambutol resistant)

Assay / Test Done

Fluorometric Alamar Blue Microassay (FMABA)

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Costunolide

PubChem ID

5281437

Ethnomedicinal Information

Anti-inflammatory, skin infections, anti-rheumatic, vulnerary, blood depurative, stomachic, haemostatic, influenza, apoplexy, constipation

PubMed ID [Source Literature]

17218447

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Sesquiterpene, Lactone

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

232.146

Molecular Formula

C₁₅H₂₀O₂

SMILES

O1[C@H]2[C@@H](CC/C(=C/CC/C(=C/2)/C)/C)C(=C)C1=O

XLogP

3.308

PSA

26.300

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) Luna-Herrera J, Costa MC, González HG, Rodrigues AI, Castilho PC.Synergistic antimycobacterial activities of sesquiterpene lactones from Laurus spp.J Antimicrob Chemother. 2007 Mar;59(3):548-52

Curator

Vikramjitmandal

Record - 21 of 31 [TOP]

Compound ID

3767

Compound Structure

Plant Source

Laurus novocanariensis Common Name:

Source Family

Lauraceae

Origin

Plant Part Used

Ripe fruit

Extract

Laurel oil

Target Bacteria

Mycobacterium tuberculosis (Clinical isolate MMDO) (Isoniazid and Ethambutol resistant)

Assay / Test Done

Fluorometric Alamar Blue Microassay (FMABA)

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Costunolide

PubChem ID

5281437

Ethnomedicinal Information

Anti-inflammatory, skin infections, anti-rheumatic, vulnerary, blood depurative, stomachic, haemostatic, influenza, apoplexy, constipation

PubMed ID [Source Literature]

17218447

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Sesquiterpene, Lactone

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

232.146

Molecular Formula

C₁₅H₂₀O₂

SMILES

O1[C@H]2[C@@H](CC/C(=C/CC/C(=C/2)/C)/C)C(=C)C1=O

XLogP

3.308

PSA

26.300

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) Luna-Herrera J, Costa MC, González HG, Rodrigues AI, Castilho PC.Synergistic antimycobacterial activities of sesquiterpene lactones from Laurus spp.J Antimicrob Chemother. 2007 Mar;59(3):548-52

Curator

Vikramjitmandal

Record - 22 of 31 [TOP]

Compound ID

3768

Compound Structure

Plant Source

Laurus novocanariensis Common Name:

Source Family

Lauraceae

Origin

Plant Part Used

Ripe fruit

Extract

Laurel oil

Target Bacteria

Mycobacterium tuberculosis (Clinical isolate SIN4) (Isoniazid, Rifampicin, Streptomycin and Ethambutol resistant)

Assay / Test Done

Fluorometric Alamar Blue Microassay (FMABA)

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Costunolide

PubChem ID

5281437

Ethnomedicinal Information

Anti-inflammatory, skin infections, anti-rheumatic, vulnerary, blood depurative, stomachic, haemostatic, influenza, apoplexy, constipation

PubMed ID [Source Literature]

17218447

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Sesquiterpene, Lactone

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

232.146

Molecular Formula

C₁₅H₂₀O₂

SMILES

O1[C@H]2[C@@H](CC/C(=C/CC/C(=C/2)/C)/C)C(=C)C1=O

XLogP

3.308

PSA

26.300

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) Luna-Herrera J, Costa MC, González HG, Rodrigues AI, Castilho PC.Synergistic antimycobacterial activities of sesquiterpene lactones from Laurus spp.J Antimicrob Chemother. 2007 Mar;59(3):548-52

Curator

Vikramjitmandal

Record - 23 of 31 [TOP]

Compound ID

3769

Compound Structure

Plant Source

Laurus novocanariensis Common Name:

Source Family

Lauraceae

Origin

Plant Part Used

Ripe fruit

Extract

Laurel oil

Target Bacteria

Mycobacterium tuberculosis (Clinical isolate MTY 147) (Isoniazid and Rifampicin resistant)

Assay / Test Done

Fluorometric Alamar Blue Microassay (FMABA)

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

Costunolide

PubChem ID

5281437

Ethnomedicinal Information

Anti-inflammatory, skin infections, anti-rheumatic, vulnerary, blood depurative, stomachic, haemostatic, influenza, apoplexy, constipation

PubMed ID [Source Literature]

17218447

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Sesquiterpene, Lactone

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

232.146

Molecular Formula

C₁₅H₂₀O₂

SMILES

O1[C@H]2[C@@H](CC/C(=C/CC/C(=C/2)/C)/C)C(=C)C1=O

XLogP

3.308

PSA

26.300

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) Luna-Herrera J, Costa MC, González HG, Rodrigues AI, Castilho PC.Synergistic antimycobacterial activities of sesquiterpene lactones from Laurus spp.J Antimicrob Chemother. 2007 Mar;59(3):548-52

Curator

Vikramjitmandal

Record - 24 of 31 [TOP]

Compound ID

3770

Compound Structure

Plant Source

Laurus novocanariensis Common Name:

Source Family

Lauraceae

Origin

Plant Part Used

Ripe fruit

Extract

Laurel oil

Target Bacteria

Mycobacterium tuberculosis H37Rv (pan-susceptible)

Assay / Test Done

Fluorometric Alamar Blue Microassay (FMABA)

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

6.25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Dehydrocostuslactone

PubChem ID

73174

Ethnomedicinal Information

PubMed ID [Source Literature]

17218447

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Sesquiterpene, Lactone

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

230.131

Molecular Formula

C₁₅H₁₈O₂

SMILES

O1[C@@H]2[C@@H]3[C@@H](CCC3=C)C(=C)CC[C@H]2C(=C)C1=O

XLogP

2.451

PSA

26.300

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) Luna-Herrera J, Costa MC, González HG, Rodrigues AI, Castilho PC.Synergistic antimycobacterial activities of sesquiterpene lactones from Laurus spp.J Antimicrob Chemother. 2007 Mar;59(3):548-52

Curator

Vikramjitmandal

Record - 25 of 31 [TOP]

Compound ID

3771

Compound Structure

Plant Source

Laurus novocanariensis Common Name:

Source Family

Lauraceae

Origin

Plant Part Used

Ripe fruit

Extract

Laurel oil

Target Bacteria

Mycobacterium tuberculosis H37Rv (Isoniazid resistant)

Assay / Test Done

Fluorometric Alamar Blue Microassay (FMABA)

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Dehydrocostuslactone

PubChem ID

73174

Ethnomedicinal Information

PubMed ID [Source Literature]

17218447

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Sesquiterpene, Lactone

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

230.131

Molecular Formula

C₁₅H₁₈O₂

SMILES

O1[C@@H]2[C@@H]3[C@@H](CCC3=C)C(=C)CC[C@H]2C(=C)C1=O

XLogP

2.451

PSA

26.300

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) Luna-Herrera J, Costa MC, González HG, Rodrigues AI, Castilho PC.Synergistic antimycobacterial activities of sesquiterpene lactones from Laurus spp.J Antimicrob Chemother. 2007 Mar;59(3):548-52

Curator

Vikramjitmandal

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