BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 1 Record - 1 of 7 [TOP]

Compound ID

2274

Compound Structure

Plant Source

Oplopanax horridus Smith Miq. Common Name:Devil's Club

Source Family

Araliaceae

Origin

USA

Plant Part Used

Inner bark

Extract

Methanol, dichloromethane

Target Bacteria

Mycobacterium tuberculosis, Mycobacterium avium

Assay / Test Done

Disk Diffusion Assay

Positive Control Used (conc.)

Isoniazid (100 µg/disk)

Inhibition [%]

100 %

Activity [MIC] µg/ml

100 µg/disk

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Falcarindiol

PubChem ID

6436239

Ethnomedicinal Information

Diabetes, rheumatism, tuberculosis, colds, headaches and lung ailments

PubMed ID [Source Literature]

9392889

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aliphatic, Alkene, Alkyne, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

260.178

Molecular Formula

C₁₇H₂₄O₂

SMILES

O[C@@H](/C=CCCCCCCC)C#CC#C[C@@H](O)C=C

XLogP

4.573

PSA

40.460

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) Kobaisy M, Abramowski Z, Lermer L, Saxena G, Hancock RE, Towers GH, Doxsee D, Stokes RW.Antimycobacterial polyynes of Devils Club (Oplopanax horridus), a North American native medicinal plant.J Nat Prod. 1997 Nov;60(11):1210-3

2) Turner, N. J., L. C. Thompson, M. T. Thompson and A. Z. York. 1990. Thompson Ethnobotany: Knowledge and usage of plants by the Thompson Indians of British Columbia. Victoria: Royal British Columbia Museum, Memoir No. 3

Curator

Record - 2 of 7 [TOP]

Compound ID

3711

Compound Structure

Plant Source

Anethum graveolens L. Common Name:NR

Source Family

Apiaceae (Umbelliferae)

Origin

Plant Part Used

Whole plant

Extract

Hexane

Target Bacteria

Mycobacterium abscessus (ATCC 19977)

Assay / Test Done

Columbia Blood Agar

Positive Control Used (conc.)

Ethambutol (128 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Falcarindiol

PubChem ID

6436239

Ethnomedicinal Information

PubMed ID [Source Literature]

16317649

Extract Preparation

Chemical Classification [Active Compound]

Aliphatic, Alkene, Alkyne, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

260.178

Molecular Formula

C₁₇H₂₄O₂

SMILES

O[C@@H](/C=CCCCCCCC)C#CC#C[C@@H](O)C=C

XLogP

4.573

PSA

40.460

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) Stavri M, Gibbons S.The antimycobacterial constituents of dill (Anethum graveolens).Phytother Res. 2005 Nov;19(11):938-41

Curator

Najiya-beegum, vikramjitmandal

Record - 3 of 7 [TOP]

Compound ID

3712

Compound Structure

Plant Source

Anethum graveolens L. Common Name:NR

Source Family

Apiaceae (Umbelliferae)

Origin

Plant Part Used

Whole plant

Extract

Hexane

Target Bacteria

Mycobacterium aurum (Pasteur Institute 104482)

Assay / Test Done

Columbia Blood Agar

Positive Control Used (conc.)

Ethambutol (0.5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

4 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Falcarindiol

PubChem ID

6436239

Ethnomedicinal Information

PubMed ID [Source Literature]

16317649

Extract Preparation

Chemical Classification [Active Compound]

Aliphatic, Alkene, Alkyne, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

260.178

Molecular Formula

C₁₇H₂₄O₂

SMILES

O[C@@H](/C=CCCCCCCC)C#CC#C[C@@H](O)C=C

XLogP

4.573

PSA

40.460

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) Stavri M, Gibbons S.The antimycobacterial constituents of dill (Anethum graveolens).Phytother Res. 2005 Nov;19(11):938-41

Curator

Najiya-beegum, vikramjitmandal

Record - 4 of 7 [TOP]

Compound ID

3713

Compound Structure

Plant Source

Anethum graveolens L. Common Name:NR

Source Family

Apiaceae (Umbelliferae)

Origin

Plant Part Used

Whole plant

Extract

Hexane

Target Bacteria

Mycobacterium phlei (ATCC 11758)

Assay / Test Done

Columbia Blood Agar

Positive Control Used (conc.)

Ethambutol (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

Falcarindiol

PubChem ID

6436239

Ethnomedicinal Information

PubMed ID [Source Literature]

16317649

Extract Preparation

Chemical Classification [Active Compound]

Aliphatic, Alkene, Alkyne, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

260.178

Molecular Formula

C₁₇H₂₄O₂

SMILES

O[C@@H](/C=CCCCCCCC)C#CC#C[C@@H](O)C=C

XLogP

4.573

PSA

40.460

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) Stavri M, Gibbons S.The antimycobacterial constituents of dill (Anethum graveolens).Phytother Res. 2005 Nov;19(11):938-41

Curator

Najiya-beegum, vikramjitmandal

Record - 5 of 7 [TOP]

Compound ID

3714

Compound Structure

Plant Source

Anethum graveolens L. Common Name:NR

Source Family

Apiaceae (Umbelliferae)

Origin

Plant Part Used

Whole plant

Extract

Hexane

Target Bacteria

Mycobacterium smegmatis (ATCC 14468)

Assay / Test Done

Columbia Blood Agar

Positive Control Used (conc.)

Ethambutol (0.5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

4 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Falcarindiol

PubChem ID

6436239

Ethnomedicinal Information

PubMed ID [Source Literature]

16317649

Extract Preparation

Chemical Classification [Active Compound]

Aliphatic, Alkene, Alkyne, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

260.178

Molecular Formula

C₁₇H₂₄O₂

SMILES

O[C@@H](/C=CCCCCCCC)C#CC#C[C@@H](O)C=C

XLogP

4.573

PSA

40.460

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) Stavri M, Gibbons S.The antimycobacterial constituents of dill (Anethum graveolens).Phytother Res. 2005 Nov;19(11):938-41

Curator

Najiya-beegum, vikramjitmandal

Record - 6 of 7 [TOP]

Compound ID

3805

Compound Structure

Plant Source

Angelica sinensis Common Name:Dang Gui

Source Family

Apiaceae (Umbelliferae)

Origin

Northwest China

Plant Part Used

Root

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.06 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

26.7 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Falcarindiol

PubChem ID

6436239

Ethnomedicinal Information

PubMed ID [Source Literature]

18567055

Extract Preparation

8 kg of the pulverized roots of Angelica sinensis Diels were extracted with methanol and the extract sequentially partitioned with petroleum ether, CHCl₃, and BuOH

Chemical Classification [Active Compound]

Aliphatic, Alkene, Alkyne, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H12 medium

Cytotoxicity Assay [AID]

Against Vero cells

Molecular Weight

260.178

Molecular Formula

C₁₇H₂₄O₂

SMILES

O[C@@H](/C=CCCCCCCC)C#CC#C[C@@H](O)C=C

XLogP

4.573

PSA

40.460

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) Deng S, Wang Y, Inui T, Chen SN, Farnsworth NR, Cho S, Franzblau SG, Pauli GF.Anti-TB polyynes from the roots of Angelica sinensis.Phytother Res. 2008 Jul;22(7):878-82

Curator

KeyaMukherjee, reshmi, Farzana Shamsudeen, Vikramjitmandal

Record - 7 of 7 [TOP]

Compound ID

3810

Compound Structure

Plant Source

Angelica sinensis Common Name:Dang Gui

Source Family

Apiaceae (Umbelliferae)

Origin

Northwest China

Plant Part Used

Root

Extract

Target Bacteria

Mycobacterium tuberculosis (Erdman)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.05 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

6 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Falcarindiol

PubChem ID

6436239

Ethnomedicinal Information

PubMed ID [Source Literature]

18567055

Extract Preparation

8 kg of the pulverized roots of Angelica sinensis Diels were extracted with methanol and the extract sequentially partitioned with petroleum ether, CHCl₃, and BuOH

Chemical Classification [Active Compound]

Aliphatic, Alkene, Alkyne, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H12 medium

Cytotoxicity Assay [AID]

Against Vero cells

Molecular Weight

260.178

Molecular Formula

C₁₇H₂₄O₂

SMILES

O[C@@H](/C=CCCCCCCC)C#CC#C[C@@H](O)C=C

XLogP

4.573

PSA

40.460

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) Deng S, Wang Y, Inui T, Chen SN, Farnsworth NR, Cho S, Franzblau SG, Pauli GF.Anti-TB polyynes from the roots of Angelica sinensis.Phytother Res. 2008 Jul;22(7):878-82

Curator

KeyaMukherjee, reshmi, Farzana Shamsudeen, Vikramjitmandal

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