BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 1 Record - 1 of 5 [TOP]

Compound ID

2029

Compound Structure

Plant Source

Leucas volkensii Gurke Common Name:

Source Family

Labiatae

Origin

Kenya

Plant Part Used

Aerial

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

(E)-Phytol

PubChem ID

5280435

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

9491760

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aliphatic, Alkene, Terpene, Diterpene, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

296.308

Molecular Formula

C₂₀H₄₀O

SMILES

OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C

XLogP

8.949

PSA

20.230

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) Rajab MS, Cantrell CL, Franzblau SG, Fischer NH.Antimycobacterial activity of (E)-phytol and derivatives: a preliminary structure-activity study.Planta Med. 1998 Feb;64(1):2-4

Curator

Record - 2 of 5 [TOP]

Compound ID

2030

Compound Structure

Plant Source

Leucas volkensii Gurke Common Name:

Source Family

Labiatae

Origin

Kenya

Plant Part Used

Aerial

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

(3R,S7R,11R)-Phytanol

PubChem ID

192019

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

9491760

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aliphatic, Terpene, Diterpene, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

298.324

Molecular Formula

C₂₀H₄₂O

SMILES

OCC(CCCC(CCCC(CCCC(CC)C)C)C)C

XLogP

9.500

PSA

20.230

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) Rajab MS, Cantrell CL, Franzblau SG, Fischer NH.Antimycobacterial activity of (E)-phytol and derivatives: a preliminary structure-activity study.Planta Med. 1998 Feb;64(1):2-4

Curator

Record - 3 of 5 [TOP]

Compound ID

2031

Compound Structure

Plant Source

Leucas volkensii Gurke Common Name:

Source Family

Labiatae

Origin

Kenya

Plant Part Used

Aerial

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

(Z) - Phytol

PubChem ID

5320547

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

9491760

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aliphatic, Alkene, Terpene, Diterpene, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

296.308

Molecular Formula

C₂₀H₄₀O

SMILES

OC/C=C(CCCC(CCCC(CCCC(C)C)C)C)/C

XLogP

8.949

PSA

20.230

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) Rajab MS, Cantrell CL, Franzblau SG, Fischer NH.Antimycobacterial activity of (E)-phytol and derivatives: a preliminary structure-activity study.Planta Med. 1998 Feb;64(1):2-4

Curator

Record - 4 of 5 [TOP]

Compound ID

2033

Compound Structure

Plant Source

Leucas volkensii Gurke Common Name:

Source Family

Labiatae

Origin

Kenya

Plant Part Used

Aerial

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

64 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Geraniol

PubChem ID

637566

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

9491760

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aliphatic, Alkene, Terpene, Monoterpene

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

154.136

Molecular Formula

C₁₀H₁₈O

SMILES

OC/C=C(/CCC=C(C)C)C

XLogP

2.524

PSA

20.230

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) Rajab MS, Cantrell CL, Franzblau SG, Fischer NH.Antimycobacterial activity of (E)-phytol and derivatives: a preliminary structure-activity study.Planta Med. 1998 Feb;64(1):2-4

Curator

Record - 5 of 5 [TOP]

Compound ID

2034

Compound Structure

Plant Source

Leucas volkensii Gurke Common Name:

Source Family

Labiatae

Origin

Kenya

Plant Part Used

Aerial

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

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

Farnesol

PubChem ID

445070

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

9491760

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aliphatic, Alkene, Terpene, Sesquiterpene, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

222.198

Molecular Formula

C₁₅H₂₆O

SMILES

OC/C=C(/CC/C=C(/CCC=C(C)C)C)C

XLogP

4.346

PSA

20.230

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) Rajab MS, Cantrell CL, Franzblau SG, Fischer NH.Antimycobacterial activity of (E)-phytol and derivatives: a preliminary structure-activity study.Planta Med. 1998 Feb;64(1):2-4

Curator

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