BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 1 Record - 1 of 10 [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 - 2 of 10 [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 - 3 of 10 [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 - 4 of 10 [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 - 5 of 10 [TOP]

Compound ID

3975

Compound Structure

Plant Source

Allium neapolitanum Common Name:

Source Family

Amaryllidaceae

Origin

Lincolnshire, UK

Plant Part Used

Bulb

Extract

Chloroform

Target Bacteria

Mycobacterium abcessus (ATCC 19977)

Assay / Test Done

Columbia Blood Agar

Positive Control Used (conc.)

Ethambutol (128 µg/ml), Isoniazid (128 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

16 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Canthin-6-one

PubChem ID

97176

Ethnomedicinal Information

PubMed ID [Source Literature]

17421058

Extract Preparation

6.3 kg of macerated bulb material underwent cold extraction with hexane, chloroform and methanol (3 l)

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Carbazole, Quinoline, Amide

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

220.064

Molecular Formula

C₁₄H₈N₂O

SMILES

O=c1n2c3c(c4c2cccc4)ccnc3cc1

XLogP

2.809

PSA

34.890

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) O'Donnell G, Gibbons S.Antibacterial activity of two canthin-6-one alkaloids from Allium neapolitanum.Phytother Res. 2007 Jul;21(7):653-7

Curator

Record - 6 of 10 [TOP]

Compound ID

3974

Compound Structure

Plant Source

Allium neapolitanum Common Name:

Source Family

Amaryllidaceae

Origin

Lincolnshire, UK

Plant Part Used

Bulb

Extract

Chloroform

Target Bacteria

Mycobacterium fortuitum (ATCC 6841)

Assay / Test Done

Columbia Blood Agar

Positive Control Used (conc.)

Ethambutol (4 µg/ml), Isoniazid (0.25 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

16 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Canthin-6-one

PubChem ID

97176

Ethnomedicinal Information

PubMed ID [Source Literature]

17421058

Extract Preparation

6.3 kg of macerated bulb material underwent cold extraction with hexane, chloroform and methanol (3 l)

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Carbazole, Quinoline, Amide

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

220.064

Molecular Formula

C₁₄H₈N₂O

SMILES

O=c1n2c3c(c4c2cccc4)ccnc3cc1

XLogP

2.809

PSA

34.890

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) O'Donnell G, Gibbons S.Antibacterial activity of two canthin-6-one alkaloids from Allium neapolitanum.Phytother Res. 2007 Jul;21(7):653-7

Curator

Record - 7 of 10 [TOP]

Compound ID

3756

Compound Structure

Plant Source

Tetradium danielli Benn. Common Name:

Source Family

Rutaceae

Origin

Plant Part Used

Fruit

Extract

Hexane

Target Bacteria

Mycobacterium smegmatis

Assay / Test Done

Columbia Blood Agar

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

8 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Dimethyl Octadienyloxy Furobenzopyran - 7 - One

PubChem ID

5471349

Ethnomedicinal Information

PubMed ID [Source Literature]

16981128

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Coumarin, Furanoid, Prenylated

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

338.152

Molecular Formula

C₂₁H₂₂O₄

SMILES

O(c1c2c(occ2)cc2oc(=O)ccc12)C/C=C(/CCC=C(C)C)C

XLogP

5.237

PSA

39.440

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, Ettl S, Kunert O, Wube AA, Haslinger E, Bucar F, Bauer R.Antimycobacterial activity of geranylated furocoumarins from Tetradium daniellii.Planta Med. 2006 Oct;72(12):1132-5. Epub 2006 Sep 18

Curator

Rachana, vikramjitmandal

Record - 8 of 10 [TOP]

Compound ID

3796

Compound Structure

Plant Source

Allium neapolitanum Common Name:NR

Source Family

Amaryllidaceae

Origin

Lincolnshire, UK

Plant Part Used

Bulb

Extract

Chloroform

Target Bacteria

Mycobacterium phlei (ATCC 11758)

Assay / Test Done

Columbia Blood Agar

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

Canthin-6-one

PubChem ID

97176

Ethnomedicinal Information

PubMed ID [Source Literature]

17421058

Extract Preparation

6.3 kg of macerated bulb material underwent cold extraction with hexane, chloroform and methanol (3 l)

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Carbazole, Quinoline, Amide

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

220.064

Molecular Formula

C₁₄H₈N₂O

SMILES

O=c1n2c3c(c4c2cccc4)ccnc3cc1

XLogP

2.809

PSA

34.890

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) O'Donnell G, Gibbons S.Antibacterial activity of two canthin-6-one alkaloids from Allium neapolitanum.Phytother Res. 2007 Jul;21(7):653-7

Curator

Najiya-beegum, vikramjitmandal

Record - 9 of 10 [TOP]

Compound ID

3799

Compound Structure

Plant Source

Allium neapolitanum Common Name:NR

Source Family

Amaryllidaceae

Origin

Lincolnshire, UK

Plant Part Used

Bulb

Extract

Chloroform

Target Bacteria

Mycobacterium smegmatis (ATCC 14468)

Assay / Test Done

Columbia Blood Agar

Positive Control Used (conc.)

Ethambutol (0.25 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

Canthin-6-one

PubChem ID

97176

Ethnomedicinal Information

PubMed ID [Source Literature]

17421058

Extract Preparation

6.3 kg of macerated bulb material underwent cold extraction with hexane, chloroform and methanol (3 l)

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Carbazole, Quinoline, Amide

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

220.064

Molecular Formula

C₁₄H₈N₂O

SMILES

O=c1n2c3c(c4c2cccc4)ccnc3cc1

XLogP

2.809

PSA

34.890

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) O'Donnell G, Gibbons S.Antibacterial activity of two canthin-6-one alkaloids from Allium neapolitanum.Phytother Res. 2007 Jul;21(7):653-7

Curator

Najiya-beegum, vikramjitmandal

Record - 10 of 10 [TOP]

Compound ID

3800

Compound Structure

Plant Source

Allium neapolitanum Common Name:NR

Source Family

Amaryllidaceae

Origin

Lincolnshire, UK

Plant Part Used

Bulb

Extract

Chloroform

Target Bacteria

Mycobacterium smegmatis (mc² 2700)

Assay / Test Done

Columbia Blood Agar

Positive Control Used (conc.)

Ethambutol (0.25 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

Canthin-6-one

PubChem ID

97176

Ethnomedicinal Information

PubMed ID [Source Literature]

17421058

Extract Preparation

6.3 kg of macerated bulb material underwent cold extraction with hexane, chloroform and methanol (3 l)

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Carbazole, Quinoline, Amide

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

220.064

Molecular Formula

C₁₄H₈N₂O

SMILES

O=c1n2c3c(c4c2cccc4)ccnc3cc1

XLogP

2.809

PSA

34.890

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) O'Donnell G, Gibbons S.Antibacterial activity of two canthin-6-one alkaloids from Allium neapolitanum.Phytother Res. 2007 Jul;21(7):653-7

Curator

Najiya-beegum, vikramjitmandal

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