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 1 Record - 1 of 18 [TOP]

Compound ID

3843

Compound Structure

Plant Source

Apple, Tea, Cinnamon, Cassia and other plants (not reported specifically) Common Name:NR

Source Family

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium avium subsp. paratuberculosis (bovine isolate [NCTC 8578])

Assay / Test Done

Macro - broth susceptibility testing using Bactec 460 system

Positive Control Used (conc.)

Rifampin (< 0.6 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

74 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

2, 5 - Dihydroxybenzaldehyde

PubChem ID

70949

Ethnomedicinal Information

PubMed ID [Source Literature]

18676709

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Aldehyde, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9 broth

Cytotoxicity Assay [AID]

Molecular Weight

138.032

Molecular Formula

C₇H₆O₃

SMILES

Oc1c(cc(O)cc1)C=O

XLogP

0.950

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)

1) Wong SY, Grant IR, Friedman M, Elliott CT, Situ C.Antibacterial activities of naturally occurring compounds against Mycobacterium avium subsp. paratuberculosis.Appl Environ Microbiol. 2008 Oct;74(19):5986-90. Epub 2008 Aug 1

Curator

KeyaMukherjee, Farzana Shamsudeen

Record - 2 of 18 [TOP]

Compound ID

3844

Compound Structure

Plant Source

Apple, Tea, Cinnamon, Cassia and other plants (not reported specifically) Common Name:NR

Source Family

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium avium subsp. paratuberculosis (human isolate [ATCC 43015])

Assay / Test Done

Macro - broth susceptibility testing using Bactec 460 system

Positive Control Used (conc.)

Rifampin (< 0.6 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

74 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

2, 5 - Dihydroxybenzaldehyde

PubChem ID

70949

Ethnomedicinal Information

PubMed ID [Source Literature]

18676709

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Aldehyde, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9 broth

Cytotoxicity Assay [AID]

Molecular Weight

138.032

Molecular Formula

C₇H₆O₃

SMILES

Oc1c(cc(O)cc1)C=O

XLogP

0.950

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

KeyaMukherjee, Farzana Shamsudeen

Record - 3 of 18 [TOP]

Compound ID

3845

Compound Structure

Plant Source

Apple, Tea, Cinnamon, Cassia and other plants (not reported specifically) Common Name:NR

Source Family

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium avium subsp. paratuberculosis (raw - milk isolate [806R])

Assay / Test Done

Macro - broth susceptibility testing using Bactec 460 system

Positive Control Used (conc.)

Rifampin (< 0.6 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

74 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

2, 5 - Dihydroxybenzaldehyde

PubChem ID

70949

Ethnomedicinal Information

PubMed ID [Source Literature]

18676709

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Aldehyde, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9 broth

Cytotoxicity Assay [AID]

Molecular Weight

138.032

Molecular Formula

C₇H₆O₃

SMILES

Oc1c(cc(O)cc1)C=O

XLogP

0.950

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

KeyaMukherjee, Farzana Shamsudeen

Record - 4 of 18 [TOP]

Compound ID

3846

Compound Structure

Plant Source

Apple, Tea, Cinnamon, Cassia and other plants (not reported specifically) Common Name:NR

Source Family

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium avium subsp. paratuberculosis (bovine isolate [NCTC 8578])

Assay / Test Done

Macro - broth susceptibility testing using Bactec 460 system

Positive Control Used (conc.)

Rifampin (< 0.6 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

90.4 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

2 - Hydroxy - 5 - Methoxybenzaldehyde

PubChem ID

95695

Ethnomedicinal Information

PubMed ID [Source Literature]

18676709

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Aldehyde, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9 broth

Cytotoxicity Assay [AID]

Molecular Weight

152.047

Molecular Formula

C₈H₈O₃

SMILES

O(c1cc(c(O)cc1)C=O)C

XLogP

1.469

PSA

46.530

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

KeyaMukherjee, Farzana Shamsudeen

Record - 5 of 18 [TOP]

Compound ID

3847

Compound Structure

Plant Source

Apple, Tea, Cinnamon, Cassia and other plants (not reported specifically) Common Name:NR

Source Family

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium avium subsp. paratuberculosis (human isolate [ATCC 43015])

Assay / Test Done

Macro - broth susceptibility testing using Bactec 460 system

Positive Control Used (conc.)

Rifampin (< 0.6 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

90.4 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

2 - Hydroxy - 5 - Methoxybenzaldehyde

PubChem ID

95695

Ethnomedicinal Information

PubMed ID [Source Literature]

18676709

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Aldehyde, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9 broth

Cytotoxicity Assay [AID]

Molecular Weight

152.047

Molecular Formula

C₈H₈O₃

SMILES

O(c1cc(c(O)cc1)C=O)C

XLogP

1.469

PSA

46.530

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

KeyaMukherjee, Farzana Shamsudeen

Record - 6 of 18 [TOP]

Compound ID

3848

Compound Structure

Plant Source

Apple, Tea, Cinnamon, Cassia and other plants (not reported specifically) Common Name:NR

Source Family

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium avium subsp. paratuberculosis (raw - milk isolate [806R])

Assay / Test Done

Macro - broth susceptibility testing using Bactec 460 system

Positive Control Used (conc.)

Rifampin (< 0.6 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

90.4 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

2 - Hydroxy - 5 - Methoxybenzaldehyde

PubChem ID

95695

Ethnomedicinal Information

PubMed ID [Source Literature]

18676709

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Aldehyde, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9 broth

Cytotoxicity Assay [AID]

Molecular Weight

152.047

Molecular Formula

C₈H₈O₃

SMILES

O(c1cc(c(O)cc1)C=O)C

XLogP

1.469

PSA

46.530

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

KeyaMukherjee, Farzana Shamsudeen

Record - 7 of 18 [TOP]

Compound ID

3849

Compound Structure

Plant Source

Apple, Tea, Cinnamon, Cassia and other plants (not reported specifically) Common Name:NR

Source Family

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium avium subsp. paratuberculosis (bovine isolate [NCTC 8578])

Assay / Test Done

Macro - broth susceptibility testing using Bactec 460 system

Positive Control Used (conc.)

Rifampin (< 0.6 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

72.2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Carvacrol

PubChem ID

10364

Ethnomedicinal Information

PubMed ID [Source Literature]

18676709

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Terpene, Monoterpene, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9 broth

Cytotoxicity Assay [AID]

Molecular Weight

150.104

Molecular Formula

C₁₀H₁₄O

SMILES

Oc1cc(C(C)C)ccc1C

XLogP

3.556

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)

Curator

KeyaMukherjee, Farzana Shamsudeen

Record - 8 of 18 [TOP]

Compound ID

3850

Compound Structure

Plant Source

Apple, Tea, Cinnamon, Cassia and other plants (not reported specifically) Common Name:NR

Source Family

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium avium subsp. paratuberculosis (human isolate [ATCC 43015])

Assay / Test Done

Macro - broth susceptibility testing using Bactec 460 system

Positive Control Used (conc.)

Rifampin (< 0.6 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

72.2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Carvacrol

PubChem ID

10364

Ethnomedicinal Information

PubMed ID [Source Literature]

18676709

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Terpene, Monoterpene, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9 broth

Cytotoxicity Assay [AID]

Molecular Weight

150.104

Molecular Formula

C₁₀H₁₄O

SMILES

Oc1cc(C(C)C)ccc1C

XLogP

3.556

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)

Curator

KeyaMukherjee, Farzana Shamsudeen

Record - 9 of 18 [TOP]

Compound ID

3851

Compound Structure

Plant Source

Apple, Tea, Cinnamon, Cassia and other plants (not reported specifically) Common Name:NR

Source Family

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium avium subsp. paratuberculosis (raw - milk isolate [806R])

Assay / Test Done

Macro - broth susceptibility testing using Bactec 460 system

Positive Control Used (conc.)

Rifampin (< 0.6 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

72.2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Carvacrol

PubChem ID

10364

Ethnomedicinal Information

PubMed ID [Source Literature]

18676709

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Terpene, Monoterpene, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9 broth

Cytotoxicity Assay [AID]

Molecular Weight

150.104

Molecular Formula

C₁₀H₁₄O

SMILES

Oc1cc(C(C)C)ccc1C

XLogP

3.556

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)

Curator

KeyaMukherjee, Farzana Shamsudeen

Record - 10 of 18 [TOP]

Compound ID

3852

Compound Structure

Plant Source

Apple, Tea, Cinnamon, Cassia and other plants (not reported specifically) Common Name:NR

Source Family

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium avium subsp. paratuberculosis (bovine isolate [NCTC 8578])

Assay / Test Done

Macro - broth susceptibility testing using Bactec 460 system

Positive Control Used (conc.)

Rifampin (< 0.6 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

26.2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Cinnamon (Cassia) oil

PubChem ID

6850781

Ethnomedicinal Information

PubMed ID [Source Literature]

18676709

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Mixture, Alkene, Phenol, OIL

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9 broth

Cytotoxicity Assay [AID]

Molecular Weight

164.084

Molecular Formula

C₁₉H₂₂O₂

SMILES

O(c1cc(CC=C)ccc1O)C.c1(ccccc1)/C=C/C

XLogP

2.484

PSA

29.460

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)

Curator

KeyaMukherjee, Farzana Shamsudeen

Record - 11 of 18 [TOP]

Compound ID

3853

Compound Structure

Plant Source

Apple, Tea, Cinnamon, Cassia and other plants (not reported specifically) Common Name:NR

Source Family

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium avium subsp. paratuberculosis (human isolate [ATCC 43015])

Assay / Test Done

Macro - broth susceptibility testing using Bactec 460 system

Positive Control Used (conc.)

Rifampin (< 0.6 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

26.2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Cinnamon (Cassia) oil

PubChem ID

6850781

Ethnomedicinal Information

PubMed ID [Source Literature]

18676709

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Mixture, Alkene, Phenol, OIL

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9 broth

Cytotoxicity Assay [AID]

Molecular Weight

164.084

Molecular Formula

C₁₉H₂₂O₂

SMILES

O(c1cc(CC=C)ccc1O)C.c1(ccccc1)/C=C/C

XLogP

2.484

PSA

29.460

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)

Curator

KeyaMukherjee, Farzana Shamsudeen

Record - 12 of 18 [TOP]

Compound ID

3854

Compound Structure

Plant Source

Apple, Tea, Cinnamon, Cassia and other plants (not reported specifically) Common Name:NR

Source Family

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium avium subsp. paratuberculosis (raw - milk isolate [806R])

Assay / Test Done

Macro - broth susceptibility testing using Bactec 460 system

Positive Control Used (conc.)

Rifampin (< 0.6 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

26.2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Cinnamon (Cassia) oil

PubChem ID

6850781

Ethnomedicinal Information

PubMed ID [Source Literature]

18676709

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Mixture, Alkene, Phenol, OIL

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9 broth

Cytotoxicity Assay [AID]

Molecular Weight

164.084

Molecular Formula

C₁₉H₂₂O₂

SMILES

O(c1cc(CC=C)ccc1O)C.c1(ccccc1)/C=C/C

XLogP

2.484

PSA

29.460

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)

Curator

KeyaMukherjee, Farzana Shamsudeen

Record - 13 of 18 [TOP]

Compound ID	3855
Compound Structure	NR
Plant Source	Apple, Tea, Cinnamon, Cassia and other plants (not reported specifically) Common Name:NR
Source Family	NR
Origin	NR
Plant Part Used	NR
Extract	NR
Target Bacteria	Mycobacterium avium subsp. paratuberculosis (bovine isolate [NCTC 8578])
Assay / Test Done	Macro - broth susceptibility testing using Bactec 460 system
Positive Control Used (conc.)	Rifampin (< 0.6 µg/ml)
Inhibition [%]	NR
Activity [MIC] µg/ml	68.2 µg/ml
Activity (In terms of dilution)	NR
Activity (Zone of inhibition in mm)	NR
Active Compound Identified	Oregano (Origanum) oil (Mixture)
PubChem ID	NR
Ethnomedicinal Information	NR
PubMed ID [Source Literature]	18676709
Extract Preparation	NR
Chemical Classification [Active Compound]	NR
Media / Broth Used [Antimicrobial Assay/Test]	Middlebrook 7H9 broth
Cytotoxicity Assay [AID]	NR
Reference(s)	1) Wong SY, Grant IR, Friedman M, Elliott CT, Situ C.Antibacterial activities of naturally occurring compounds against Mycobacterium avium subsp. paratuberculosis.Appl Environ Microbiol. 2008 Oct;74(19):5986-90. Epub 2008 Aug 1
Curator	KeyaMukherjee, Farzana Shamsudeen

Record - 14 of 18 [TOP]

Compound ID	3856
Compound Structure	NR
Plant Source	Apple, Tea, Cinnamon, Cassia and other plants (not reported specifically) Common Name:NR
Source Family	NR
Origin	NR
Plant Part Used	NR
Extract	NR
Target Bacteria	Mycobacterium avium subsp. paratuberculosis (human isolate [ATCC 43015])
Assay / Test Done	Macro - broth susceptibility testing using Bactec 460 system
Positive Control Used (conc.)	Rifampin (< 0.6 µg/ml)
Inhibition [%]	NR
Activity [MIC] µg/ml	68.2 µg/ml
Activity (In terms of dilution)	NR
Activity (Zone of inhibition in mm)	NR
Active Compound Identified	Oregano (Origanum) oil (Mixture)
PubChem ID	NR
Ethnomedicinal Information	NR
PubMed ID [Source Literature]	18676709
Extract Preparation	NR
Chemical Classification [Active Compound]	NR
Media / Broth Used [Antimicrobial Assay/Test]	Middlebrook 7H9 broth
Cytotoxicity Assay [AID]	NR
Reference(s)	1) Wong SY, Grant IR, Friedman M, Elliott CT, Situ C.Antibacterial activities of naturally occurring compounds against Mycobacterium avium subsp. paratuberculosis.Appl Environ Microbiol. 2008 Oct;74(19):5986-90. Epub 2008 Aug 1
Curator	KeyaMukherjee, Farzana Shamsudeen

Record - 15 of 18 [TOP]

Compound ID	3857
Compound Structure	NR
Plant Source	Apple, Tea, Cinnamon, Cassia and other plants (not reported specifically) Common Name:NR
Source Family	NR
Origin	NR
Plant Part Used	NR
Extract	NR
Target Bacteria	Mycobacterium avium subsp. paratuberculosis (raw - milk isolate [806R])
Assay / Test Done	Macro - broth susceptibility testing using Bactec 460 system
Positive Control Used (conc.)	Rifampin (< 0.6 µg/ml)
Inhibition [%]	NR
Activity [MIC] µg/ml	68.2 µg/ml
Activity (In terms of dilution)	NR
Activity (Zone of inhibition in mm)	NR
Active Compound Identified	Oregano (Origanum) oil (Mixture)
PubChem ID	NR
Ethnomedicinal Information	NR
PubMed ID [Source Literature]	18676709
Extract Preparation	NR
Chemical Classification [Active Compound]	NR
Media / Broth Used [Antimicrobial Assay/Test]	Middlebrook 7H9 broth
Cytotoxicity Assay [AID]	NR
Reference(s)	1) Wong SY, Grant IR, Friedman M, Elliott CT, Situ C.Antibacterial activities of naturally occurring compounds against Mycobacterium avium subsp. paratuberculosis.Appl Environ Microbiol. 2008 Oct;74(19):5986-90. Epub 2008 Aug 1
Curator	KeyaMukherjee, Farzana Shamsudeen

Record - 16 of 18 [TOP]

Compound ID

3858

Compound Structure

Plant Source

Apple, Tea, Cinnamon, Cassia and other plants (not reported specifically) Common Name:NR

Source Family

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium avium subsp. paratuberculosis (bovine isolate [NCTC 8578])

Assay / Test Done

Macro - broth susceptibility testing using Bactec 460 system

Positive Control Used (conc.)

Rifampin (< 0.6 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

25.9 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Trans - Cinnamaldehyde

PubChem ID

637511

Ethnomedicinal Information

PubMed ID [Source Literature]

18676709

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Alkyl, Alkene, Aldehyde

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9 broth

Cytotoxicity Assay [AID]

Molecular Weight

132.058

Molecular Formula

C₉H₈O

SMILES

O=C/C=C/c1ccccc1

XLogP

3.985

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

KeyaMukherjee, Farzana Shamsudeen

Record - 17 of 18 [TOP]

Compound ID

3859

Compound Structure

Plant Source

Apple, Tea, Cinnamon, Cassia and other plants (not reported specifically) Common Name:NR

Source Family

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium avium subsp. paratuberculosis (human isolate [ATCC 43015])

Assay / Test Done

Macro - broth susceptibility testing using Bactec 460 system

Positive Control Used (conc.)

Rifampin (< 0.6 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

25.9 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Trans - Cinnamaldehyde

PubChem ID

637511

Ethnomedicinal Information

PubMed ID [Source Literature]

18676709

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Alkyl, Alkene, Aldehyde

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9 broth

Cytotoxicity Assay [AID]

Molecular Weight

132.058

Molecular Formula

C₉H₈O

SMILES

O=C/C=C/c1ccccc1

XLogP

3.985

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

KeyaMukherjee, Farzana Shamsudeen

Record - 18 of 18 [TOP]

Compound ID

3860

Compound Structure

Plant Source

Apple, Tea, Cinnamon, Cassia and other plants (not reported specifically) Common Name:NR

Source Family

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium avium subsp. paratuberculosis (raw - milk isolate [806R])

Assay / Test Done

Macro - broth susceptibility testing using Bactec 460 system

Positive Control Used (conc.)

Rifampin (< 0.6 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

25.9 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Trans - Cinnamaldehyde

PubChem ID

637511

Ethnomedicinal Information

PubMed ID [Source Literature]

18676709

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Alkyl, Alkene, Aldehyde

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9 broth

Cytotoxicity Assay [AID]

Molecular Weight

132.058

Molecular Formula

C₉H₈O

SMILES

O=C/C=C/c1ccccc1

XLogP

3.985

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

KeyaMukherjee, Farzana Shamsudeen

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)