BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 2 Record - 1 of 33 [TOP]

Compound ID	1187
Compound Structure
Plant Source	Annona hypoglauca Mart. Common Name:
Source Family	Annonaceae
Origin	Peru
Plant Part Used	Bark
Extract	Dichloromethane
Target Bacteria	Mycobacterium tuberculosis (ATCC 27294)
Assay / Test Done	BACTEC 460 (Becton Dickinson Diagnostic Instrument Systems, Sparks MD) Radiometric Assay
Positive Control Used (conc.)	Rifampin (2 µg/ml), Ethambutol (7.5 µg/ml)
Inhibition [%]	51 %
Activity [MIC] µg/ml	50 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Tuberculosis
PubMed ID [Source Literature]	13678239
Extract Preparation	N/A
Chemical Classification [Active Compound]	N/A
Media / Broth Used [Antimicrobial Assay/Test]	N/A
Cytotoxicity Assay [AID]	N/A
Reference(s)	1) Graham JG, Pendland SL, Prause JL, Danzinger LH, Schunke Vigo J, Cabieses F, Farnsworth NR.Antimycobacterial evaluation of Peruvian plants.Phytomedicine. 2003;10(6-7):528-35
Curator

Record - 2 of 33 [TOP]

Compound ID	1188
Compound Structure
Plant Source	Annona senegalensis Common Name:Wild Custard Apple, Wild Soursop
Source Family	Annonaceae
Origin	Nigeria
Plant Part Used
Extract	Methanol (71.7 %)
Target Bacteria	Mycobacterium bovis (BCG - Bacillus Calmette Guerin)
Assay / Test Done	Broth Microdilution Method (BMM)
Positive Control Used (conc.)	Rifampin (0.03 µg/ml)
Inhibition [%]
Activity [MIC] µg/ml	1250 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Tuberculosis
PubMed ID [Source Literature]
Extract Preparation	N/A
Chemical Classification [Active Compound]	N/A
Media / Broth Used [Antimicrobial Assay/Test]	N/A
Cytotoxicity Assay [AID]	N/A
Reference(s)	1) Mann, A., Ibrahim, K., Oyewale, A.O., Amupitan, J.O., and Okogun, J.I., 2009, Antimycobacterial activity of some me-dicinal plants in Niger State, Nigeria. Afri. J. Infect. Dis., 3(2), 44-48
Curator

Record - 3 of 33 [TOP]

Compound ID	1189
Compound Structure
Plant Source	Annona squamosa L. Common Name:Custard Apple, Sugar Apple, Sweetsop (English), Nagathein (Sanskrit)
Source Family	Annonaceae
Origin	Malaysia
Plant Part Used	Leaf
Extract	Methanol
Target Bacteria	Mycobacterium tuberculosis H37Rv
Assay / Test Done	Colorimetric Tetrazolium Microplate Assay (TEMA)
Positive Control Used (conc.)	Isoniazid (0.078 µg/ml)
Inhibition [%]
Activity [MIC] µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Cough
PubMed ID [Source Literature]	21094237
Extract Preparation	N/A
Chemical Classification [Active Compound]	N/A
Media / Broth Used [Antimicrobial Assay/Test]	N/A
Cytotoxicity Assay [AID]	N/A
Reference(s)	1) Mohamad S, Zin NM, Wahab HA, Ibrahim P, Sulaiman SF, Zahariluddin AS, Noor SS.Antituberculosis potential of some ethnobotanically selected Malaysian plants.J Ethnopharmacol. 2011 Feb 16;133(3):1021-6 2) http://www.tuninst.net/MyanMedPlants/TIL/famA/Annonaceae.htm
Curator

Record - 4 of 33 [TOP]

Compound ID	1352
Compound Structure
Plant Source	Cananga odorata (Lam.) Hook. f. & Thomson Common Name:Shrubby Cananga (English)
Source Family	Annonaceae
Origin	Malaysia
Plant Part Used	Leaf
Extract	Methanol
Target Bacteria	Mycobacterium tuberculosis H37Rv
Assay / Test Done	Colorimetric Tetrazolium Microplate Assay (TEMA)
Positive Control Used (conc.)	Isoniazid (0.078 µg/ml)
Inhibition [%]
Activity [MIC] µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Asthma
PubMed ID [Source Literature]
Extract Preparation	N/A
Chemical Classification [Active Compound]	N/A
Media / Broth Used [Antimicrobial Assay/Test]	N/A
Cytotoxicity Assay [AID]	N/A
Reference(s)	1) Wart, C., 2000. Medicinal Plants of Southeast Asia. Pelanduk Publications, Petaling Jaya, Selangor, Malaysia 2) http://www.plantnames.unimelb.edu.au/Sorting/Cananga.html
Curator

Record - 5 of 33 [TOP]

Compound ID	1619
Compound Structure
Plant Source	Duguetia odorata (Diels) J.F. Macbr. Common Name:
Source Family	Annonaceae
Origin	Peru
Plant Part Used	Bark
Extract	Dichloromethane
Target Bacteria	Mycobacterium tuberculosis (ATCC 27294)
Assay / Test Done	BACTEC 460 (Becton Dickinson Diagnostic Instrument Systems, Sparks MD) Radiometric Assay
Positive Control Used (conc.)	Rifampin (2 µg/ml), Ethambutol (7.5 µg/ml)
Inhibition [%]	< 50 %
Activity [MIC] µg/ml	50 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Tuberculosis
PubMed ID [Source Literature]	13678239
Extract Preparation	N/A
Chemical Classification [Active Compound]	N/A
Media / Broth Used [Antimicrobial Assay/Test]	N/A
Cytotoxicity Assay [AID]	N/A
Reference(s)	1) Graham JG, Pendland SL, Prause JL, Danzinger LH, Schunke Vigo J, Cabieses F, Farnsworth NR.Antimycobacterial evaluation of Peruvian plants.Phytomedicine. 2003;10(6-7):528-35
Curator

Record - 6 of 33 [TOP]

Compound ID

2414

Compound Structure

Plant Source

Polyalthia cerasoides (Roxb.) Benth. ex Bedd Common Name:

Source Family

Annonaceae

Origin

Thailand

Plant Part Used

Root

Extract

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.05 µg/ml), Kanamycin (2.5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

6.25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Bidebiline E

PubChem ID

23642920

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

17845001

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Quinoline, Aporphine, Alkaloid

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

584.195

Molecular Formula

C₃₆H₂₈N₂O₆

SMILES

O1c2c3c4c(NCCc4cc2OC1)c(c1c2NCCc4c2c(c2c1cc(OC)cc2)c1OCOc1c4)c1c3ccc(OC)c1

XLogP

4.472

PSA

79.440

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) Kanokmedhakul S, Kanokmedhakul K, Lekphrom R.Bioactive constituents of the roots of Polyalthia cerasoides.J Nat Prod. 2007 Sep;70(9):1536-8

Curator

Record - 7 of 33 [TOP]

Compound ID

2415

Compound Structure

Plant Source

Polyalthia cerasoides (Roxb.) Benth. ex Bedd Common Name:

Source Family

Annonaceae

Origin

Thailand

Plant Part Used

Root

Extract

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.05 µg/ml), Kanamycin (2.5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

6.25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Octadeca - 9, 11, 13 - Triynoic Acid

PubChem ID

11778027

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

17845001

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aliphatic, Alkyne, Fatty acid

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

272.178

Molecular Formula

C₁₈H₂₄O₂

SMILES

OC(=O)CCCCCCCC#CC#CC#CCCCC

XLogP

6.542

PSA

37.300

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) Kanokmedhakul S, Kanokmedhakul K, Lekphrom R.Bioactive constituents of the roots of Polyalthia cerasoides.J Nat Prod. 2007 Sep;70(9):1536-8

Curator

Record - 8 of 33 [TOP]

Compound ID

2416

Compound Structure

Plant Source

Polyalthia cerasoides (Roxb.) Benth. ex Bedd Common Name:

Source Family

Annonaceae

Origin

Thailand

Plant Part Used

Root

Extract

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.05 µg/ml), Kanamycin (2.5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

6.25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

α - Humulene

PubChem ID

5281520

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

17845001

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Terpene, Sesquiterpene

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

204.188

Molecular Formula

C₁₅H₂₄

SMILES

C1(C/C=C(/CC/C=C(/C/C=C/1)C)C)(C)C

XLogP

5.940

PSA

0.000

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) Kanokmedhakul S, Kanokmedhakul K, Lekphrom R.Bioactive constituents of the roots of Polyalthia cerasoides.J Nat Prod. 2007 Sep;70(9):1536-8

Curator

Record - 9 of 33 [TOP]

Compound ID	2499
Compound Structure
Plant Source	Rollinia cuspidata C. Mart Common Name:
Source Family	Annonaceae
Origin	Peru
Plant Part Used	Bark
Extract	Dichloromethane
Target Bacteria	Mycobacterium tuberculosis (ATCC 27294)
Assay / Test Done	BACTEC 460 (Becton Dickinson Diagnostic Instrument Systems, Sparks MD) radiometric assay
Positive Control Used (conc.)	Rifampin (2 µg/ml), Ethambutol (7.5 µg/ml)
Inhibition [%]	< 50 %
Activity [MIC] µg/ml	50 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Tuberculosis
PubMed ID [Source Literature]	13678239
Extract Preparation	N/A
Chemical Classification [Active Compound]	N/A
Media / Broth Used [Antimicrobial Assay/Test]	N/A
Cytotoxicity Assay [AID]	N/A
Reference(s)	1) Graham JG, Pendland SL, Prause JL, Danzinger LH, Schunke Vigo J, Cabieses F, Farnsworth NR.Antimycobacterial evaluation of Peruvian plants.Phytomedicine. 2003;10(6-7):528-35
Curator

Record - 10 of 33 [TOP]

Compound ID	2852
Compound Structure	N/A
Plant Source	Cananga odorata Common Name:Ylang - Ylang Cananga Tree, Macassar - Oil Plant, Perfume Tree
Source Family	Annonaceae
Origin	Colombia
Plant Part Used	Flower
Extract	Flower extract (1.2 %)
Target Bacteria	Mycobacterium tuberculosis H37Rv
Assay / Test Done	Colorimetric Macrodilution Method, following the protocol described by Abate et al. (1998)
Positive Control Used (conc.)	Isoniazid (0.19 ± 0.07 µg/ml), Rifampin (0.3 ± 0.21 µg/ml)
Inhibition [%]	NR
Activity [MIC] µg/ml	300 ± 217 µg/ml
Activity (In terms of dilution)	NR
Activity (Zone of inhibition in mm)	NR
Active Compound Identified	Mixture of Essential oils (Mixture)
PubChem ID	NR
Ethnomedicinal Information	NR
PubMed ID [Source Literature]	19753839
Extract Preparation	Microwave - assisted hydrodistillation (30 min, 250 ml water), using a Clevenger - type distillation apparatus and a Dean - Stark distillation trap in a domestic microwave oven (Kendo, MO-124, 2.5 GHz, 800 W) (9). Sodium sulfate was added as a drying agent to the decanted essential oil
Chemical Classification [Active Compound]	Mixture
Media / Broth Used [Antimicrobial Assay/Test]	Lowenstein Jensen (L-J) medium and Middlebrook 7H9 broth
Cytotoxicity Assay [AID]	NR
Reference(s)	1) Bueno-Sánchez JG, Martínez-Morales JR, Stashenko EE, Ribón W.Anti-tubercular activity of eleven aromatic and medicinal plants occurring in Colombia.Biomedica. 2009 Mar;29(1):51-60
Curator	Reshmi

Record - 11 of 33 [TOP]

Compound ID	3181
Compound Structure	NR
Plant Source	Annona glabra L. syn. Annona palustris L. Common Name:Pond Apple
Source Family	Annonaceae
Origin	Puerto Rico, India
Plant Part Used	Stem
Extract	Ethanol (95 %)
Target Bacteria	Mycobacterium tuberculosis
Assay / Test Done	Radiorespirometric Bioassay
Positive Control Used (conc.)	Rifampin (1 µg/ml)
Inhibition [%]	43 %
Activity [MIC] µg/ml	100 µg/ml
Activity (In terms of dilution)	NR
Activity (Zone of inhibition in mm)	NR
Active Compound Identified	NR
PubChem ID	NR
Ethnomedicinal Information	In folklore medicine of Puerto Rico the allied species Annona squamosa L. for Expectorant, fever, vomiting, cathartic, cold, tonic, dysentery
PubMed ID [Source Literature]	11746852
Extract Preparation	The plants were dried, at a temperature not exceeding 30°C, in an air - circulating oven. The material was powdered and extracted with 95 % ethanol. The organic solvent was removed by distillation under reduced pressure
Chemical Classification [Active Compound]	NR
Media / Broth Used [Antimicrobial Assay/Test]	NR
Cytotoxicity Assay [AID]	NR
Reference(s)	1) Antoun MD, Ramos Z, Vazques J, Oquendo I, Proctor GR, Gerena L, Franzblau SG.Evaluation of the flora of Puerto Rico for in vitro antiplasmodial and antimycobacterial activities.Phytother Res. 2001 Nov;15(7):638-42 2) http://plants.usda.gov/java/profile?symbol=ANGL4
Curator	Reshmi, vikramjitmandal

Record - 12 of 33 [TOP]

Compound ID	3182
Compound Structure	NR
Plant Source	Annona muricata L. Common Name:Brazilian Pawpaw, Soursop, Prickly Custard Apple, Soursapi
Source Family	Annonaceae
Origin	Puerto Rico, India
Plant Part Used	Leaf
Extract	Ethanol (95 %)
Target Bacteria	Mycobacterium tuberculosis
Assay / Test Done	Middlebrook 7H9 Broth using BACTEC 460 System
Positive Control Used (conc.)	Rifampin (1 µg/ml)
Inhibition [%]	75 %
Activity [MIC] µg/ml	100 µg/ml
Activity (In terms of dilution)	NR
Activity (Zone of inhibition in mm)	NR
Active Compound Identified	NR
PubChem ID	NR
Ethnomedicinal Information	Cough, dysentery, emetic, astringent, antispasmodic, parasiticidal
PubMed ID [Source Literature]	11746852
Extract Preparation	The plants were dried, at a temperature not exceeding 30°C, in an air - circulating oven. The material was powdered and extracted with 95 % ethanol. The organic solvent was removed by distillation under reduced pressure
Chemical Classification [Active Compound]	NR
Media / Broth Used [Antimicrobial Assay/Test]	NR
Cytotoxicity Assay [AID]	NR
Reference(s)	1) Folklore Medicine of Puerto Rico (Antoun et al.,2001),Ayurveda(Kirtikar and Basu,1935) 2) http://www.bitterrootrestoration.com/medicinal-plants/tribal-herbal-medicinal-uses-of-graviola.html
Curator	Reshmi, vikramjitmandal

Record - 13 of 33 [TOP]

Compound ID

3872

Compound Structure

Plant Source

Cananga odorata Common Name:Ylang - Ylang Tree

Source Family

Annonaceae

Origin

Colombia

Plant Part Used

Flower

Extract

Essential oil (1.2 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Isoniazid (0.19 ± 0.07 µg/ml), Rifampin (0.3 ± 0.21 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

300 ± 217 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Linalool (20.7 %)

PubChem ID

6549

Ethnomedicinal Information

Stomach ailment, fever, inflammation, burning sensation, malarial fever, asthma with aromatherapy, hypertension, anxiety, depression and as a sexual stimulant

PubMed ID [Source Literature]

19753839

Extract Preparation

The essential oils were extracted from a 300 g sample of plant leaves and stems by microwave - assisted hydrodistillation (30 min, 250 ml water), using a Clevenger - type distillation apparatus and a Dean - Stark distillation trap in a domestic microwave oven. Sodium sulfate was added as a drying agent to the decanted essential oil

Chemical Classification [Active Compound]

Aliphatic, Alkene, Terpene, Monoterpene, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Lowestein - Jensenn medium, Middlebrook 7H9 medium [The later was supplemented with 10 % OADC (Oleic Acid - Albumin - Dextrose - Catalase) and 0.001 % Tween 80]

Cytotoxicity Assay [AID]

Molecular Weight

154.136

Molecular Formula

C₁₀H₁₈O

SMILES

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

XLogP

2.468

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) Bueno-Sánchez JG, Martínez-Morales JR, Stashenko EE, Ribón W.Anti-tubercular activity of eleven aromatic and medicinal plants occurring in Colombia.Biomedica. 2009 Mar;29(1):51-60

2) http://ayurvedicmedicinalplants.com/index.php?option=com_zoom&Itemid=26&page=view&catid=3&key=10&hit=1

Curator

KeyaMukherjee, Farzana Shamsudeen

Record - 14 of 33 [TOP]

Compound ID

3873

Compound Structure

Plant Source

Cananga odorata Common Name:Ylang - Ylang Tree

Source Family

Annonaceae

Origin

Colombia

Plant Part Used

Flower

Extract

Essential oil (1.2 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Isoniazid (0.19 ± 0.07 µg/ml), Rifampin (0.3 ± 0.21 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

300 ± 217 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Benzyl acetate (20.6%)

PubChem ID

8785

Ethnomedicinal Information

Stomach ailment, fever, inflammation, burning sensation, malarial fever, asthma with aromatherapy, hypertension, anxiety, depression and as a sexual stimulant

PubMed ID [Source Literature]

19753839

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Alkyl, O-Acetyl

Media / Broth Used [Antimicrobial Assay/Test]

Lowestein - Jensenn medium, Middlebrook 7H9 medium [The later was supplemented with 10 % OADC (Oleic Acid - Albumin - Dextrose - Catalase) and 0.001 % Tween 80]

Cytotoxicity Assay [AID]

Molecular Weight

150.068

Molecular Formula

C₉H₁₀O₂

SMILES

O(Cc1ccccc1)C(=O)C

XLogP

3.149

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)

Curator

KeyaMukherjee, Farzana Shamsudeen

Record - 15 of 33 [TOP]

Compound ID

3874

Compound Structure

Plant Source

Cananga odorata Common Name:Ylang - Ylang Tree

Source Family

Annonaceae

Origin

Colombia

Plant Part Used

Flower

Extract

Essential oil (1.2 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Isoniazid (0.19 ± 0.07 µg/ml), Rifampin (0.3 ± 0.21 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

300 ± 217 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Benzyl benzoate (14.2 %)

PubChem ID

2345

Ethnomedicinal Information

Stomach ailment, fever, inflammation, burning sensation, malarial fever, asthma with aromatherapy, hypertension, anxiety, depression and as a sexual stimulant

PubMed ID [Source Literature]

19753839

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Ester

Media / Broth Used [Antimicrobial Assay/Test]

Lowestein - Jensenn medium, Middlebrook 7H9 medium [The later was supplemented with 10 % OADC (Oleic Acid - Albumin - Dextrose - Catalase) and 0.001 % Tween 80]

Cytotoxicity Assay [AID]

Molecular Weight

212.084

Molecular Formula

C₁₄H₁₂O₂

SMILES

O(Cc1ccccc1)C(=O)c1ccccc1

XLogP

5.895

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)

Curator

KeyaMukherjee, Farzana Shamsudeen

Record - 16 of 33 [TOP]

Compound ID

3875

Compound Structure

Plant Source

Cananga odorata Common Name:Ylang - Ylang Tree

Source Family

Annonaceae

Origin

Colombia

Plant Part Used

Flower

Extract

Essential oil (1.2 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Isoniazid (0.19 ± 0.07 µg/ml), Rifampin (0.3 ± 0.21 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

300 ± 217 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Germacrene D (10.2 %)

PubChem ID

5373727

Ethnomedicinal Information

Stomach ailment, fever, inflammation, burning sensation, malarial fever, asthma with aromatherapy, hypertension, anxiety, depression and as a sexual stimulant

PubMed ID [Source Literature]

19753839

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Terpene, Sesquiterpene

Media / Broth Used [Antimicrobial Assay/Test]

Lowestein - Jensenn medium, Middlebrook 7H9 medium [The later was supplemented with 10 % OADC (Oleic Acid - Albumin - Dextrose - Catalase) and 0.001 % Tween 80]

Cytotoxicity Assay [AID]

Molecular Weight

204.188

Molecular Formula

C₁₅H₂₄

SMILES

C1(C(C)C)CC/C(=CCCC(=C)/C=C1)/C

XLogP

6.294

PSA

0.000

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 33 [TOP]

Compound ID

3876

Compound Structure

Plant Source

Cananga odorata Common Name:Ylang - Ylang Tree

Source Family

Annonaceae

Origin

Colombia

Plant Part Used

Flower

Extract

Essential oil (1.2 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Isoniazid (0.19 ± 0.07 µg/ml), Rifampin (0.3 ± 0.21 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

300 ± 217 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

P - Methyl anisole (6.8%)

PubChem ID

7731

Ethnomedicinal Information

Stomach ailment, fever, inflammation, burning sensation, malarial fever, asthma with aromatherapy, hypertension, anxiety, depression and as a sexual stimulant

PubMed ID [Source Literature]

19753839

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Lowestein - Jensenn medium, Middlebrook 7H9 medium [The later was supplemented with 10 % OADC (Oleic Acid - Albumin - Dextrose - Catalase) and 0.001 % Tween 80]

Cytotoxicity Assay [AID]

Molecular Weight

122.073

Molecular Formula

C₈H₁₀O

SMILES

O(c1ccc(cc1)C)C

XLogP

2.886

PSA

9.230

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 - 18 of 33 [TOP]

Compound ID

3877

Compound Structure

Plant Source

Cananga odorata Common Name:Ylang - Ylang Tree

Source Family

Annonaceae

Origin

Colombia

Plant Part Used

Flower

Extract

Essential oil (1.2 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Isoniazid (0.19 ± 0.07 µg/ml), Rifampin (0.3 ± 0.21 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

300 ± 217 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Cinnamyl acetate (5.1%)

PubChem ID

5282110

Ethnomedicinal Information

Stomach ailment, fever, inflammation, burning sensation, malarial fever, asthma with aromatherapy, hypertension, anxiety, depression and as a sexual stimulant

PubMed ID [Source Literature]

19753839

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Cinnamyl, O-Acetyl

Media / Broth Used [Antimicrobial Assay/Test]

Lowestein - Jensenn medium, Middlebrook 7H9 medium [The later was supplemented with 10 % OADC (Oleic Acid - Albumin - Dextrose - Catalase) and 0.001 % Tween 80]

Cytotoxicity Assay [AID]

Molecular Weight

176.084

Molecular Formula

C₁₁H₁₂O₂

SMILES

O(C/C=C/c1ccccc1)C(=O)C

XLogP

4.548

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)

Curator

KeyaMukherjee, Farzana Shamsudeen

Record - 19 of 33 [TOP]

Compound ID

3878

Compound Structure

Plant Source

Cananga odorata Common Name:Ylang - Ylang Tree

Source Family

Annonaceae

Origin

Colombia

Plant Part Used

Flower

Extract

Essential oil (1.2 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Isoniazid (0.19 ± 0.07 µg/ml), Rifampin (0.3 ± 0.21 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

300 ± 217 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Geranyl acetate (2.9 %)

PubChem ID

1549026

Ethnomedicinal Information

Stomach ailment, fever, inflammation, burning sensation, malarial fever, asthma with aromatherapy, hypertension, anxiety, depression and as a sexual stimulant

PubMed ID [Source Literature]

19753839

Extract Preparation

Chemical Classification [Active Compound]

Aliphatic, Alkene, Ester

Media / Broth Used [Antimicrobial Assay/Test]

Lowestein - Jensenn medium, Middlebrook 7H9 medium [The later was supplemented with 10 % OADC (Oleic Acid - Albumin - Dextrose - Catalase) and 0.001 % Tween 80]

Cytotoxicity Assay [AID]

Molecular Weight

196.146

Molecular Formula

C₁₂H₂₀O₂

SMILES

O(C/C=C(/CCC=C(C)C)C)C(=O)C

XLogP

3.264

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)

Curator

KeyaMukherjee, Farzana Shamsudeen

Record - 20 of 33 [TOP]

Compound ID

3879

Compound Structure

Plant Source

Cananga odorata Common Name:Ylang - Ylang Tree

Source Family

Annonaceae

Origin

Colombia

Plant Part Used

Flower

Extract

Essential oil (1.2 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Isoniazid (0.19 ± 0.07 µg/ml), Rifampin (0.3 ± 0.21 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

300 ± 217 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

α - Humulene (2.8 %)

PubChem ID

5281520

Ethnomedicinal Information

Stomach ailment, fever, inflammation, burning sensation, malarial fever, asthma with aromatherapy, hypertension, anxiety, depression and as a sexual stimulant

PubMed ID [Source Literature]

19753839

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Terpene, Sesquiterpene

Media / Broth Used [Antimicrobial Assay/Test]

Lowestein - Jensenn medium, Middlebrook 7H9 medium [The later was supplemented with 10 % OADC (Oleic Acid - Albumin - Dextrose - Catalase) and 0.001 % Tween 80]

Cytotoxicity Assay [AID]

Molecular Weight

204.188

Molecular Formula

C₁₅H₂₄

SMILES

C1(C/C=C(/CC/C=C(/C/C=C/1)C)C)(C)C

XLogP

5.940

PSA

0.000

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 - 21 of 33 [TOP]

Compound ID

3880

Compound Structure

Plant Source

Cananga odorata Common Name:Ylang - Ylang Tree

Source Family

Annonaceae

Origin

Colombia

Plant Part Used

Flower

Extract

Essential oil (1.2 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Isoniazid (0.19 ± 0.07 µg/ml), Rifampin (0.3 ± 0.21 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

300 ± 217 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

(E,E)-Franesene (2.4 %)

PubChem ID

5281516

Ethnomedicinal Information

Stomach ailment, fever, inflammation, burning sensation, malarial fever, asthma with aromatherapy, hypertension, anxiety, depression and as a sexual stimulant

PubMed ID [Source Literature]

19753839

Extract Preparation

Chemical Classification [Active Compound]

Aliphatic, Alkene, Terpene, Sesquiterpene

Media / Broth Used [Antimicrobial Assay/Test]

Lowestein - Jensenn medium, Middlebrook 7H9 medium [The later was supplemented with 10 % OADC (Oleic Acid - Albumin - Dextrose - Catalase) and 0.001 % Tween 80]

Cytotoxicity Assay [AID]

Molecular Weight

204.188

Molecular Formula

C₁₅H₂₄

SMILES

C(CC=C(C)C)/C(=C/C/C=C(C)/C=C)/C

XLogP

6.136

PSA

0.000

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 - 22 of 33 [TOP]

Compound ID

3881

Compound Structure

Plant Source

Cananga odorata Common Name:Ylang - Ylang Tree

Source Family

Annonaceae

Origin

Colombia

Plant Part Used

Flower

Extract

Essential oil (1.2 %)

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Macrodilution method in glass tubes

Positive Control Used (conc.)

Isoniazid (0.19 ± 0.07 µg/ml), Rifampin (0.3 ± 0.21 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

125 ± 0.01 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Benzyl salicylate (2.3 %)

PubChem ID

8363

Ethnomedicinal Information

Stomach ailment, fever, inflammation, burning sensation, malarial fever, asthma with aromatherapy, hypertension, anxiety, depression and as a sexual stimulant

PubMed ID [Source Literature]

19753839

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Ester, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Lowestein - Jensenn medium, Middlebrook 7H9 medium [The later was supplemented with 10 % OADC (Oleic Acid - Albumin - Dextrose - Catalase) and 0.001 % Tween 80]

Cytotoxicity Assay [AID]

Molecular Weight

228.079

Molecular Formula

C₁₄H₁₂O₃

SMILES

O(Cc1ccccc1)C(=O)c1c(O)cccc1

XLogP

5.493

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 - 23 of 33 [TOP]

Compound ID

3988

Compound Structure

Plant Source

Polyalthia evecta Common Name:

Source Family

Annonaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

3.1 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

NPMC7a

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Alkyl, Alkyne, Fatty acid, Furanoid

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

360.266

Molecular Formula

C₂₃H₃₆O₃

SMILES

OC(=O)CCCC#CCCCCCCCCCCCCCc1ccco1

XLogP

8.462

PSA

50.440

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) In silico Comparison of Antimycobacterial Natural Products with Known Antituberculosis Drugs. Marlene Espinoza-Moraga, Nicholas M. Njuguna, Grace Mugumbate, Julio Caballero, and Kelly Chibale. Journal of Chemical Information and Modeling 2013 53 (3), 649-660

2) Rogoza, L. N.; Salakhutdinov, N. F.; Tolstikov, G. A. Anti-tubercular Activity of Natural Products: Recent Developments. In Opportunity, Challenge and Scope of Natural Products in Medicinal Chemistry; Tiwari, V. K. Ed.; Research Signpost: India, 2011; pp 103-120

Curator

Record - 24 of 33 [TOP]

Compound ID

3989

Compound Structure

Plant Source

Polyalthia evecta Common Name:

Source Family

Annonaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

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

NPMC8a

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Alkyne, Furanoid, Alkyne

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

410.355

Molecular Formula

C₂₉H₄₆O

SMILES

CCCCCCCCCCCCCCCC#CC#CCCCCCCc1ccco1

XLogP

13.272

PSA

13.140

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

Record - 25 of 33 [TOP]

Compound ID

4044

Compound Structure

Plant Source

Pseuduvaria setosa Common Name:

Source Family

Annonaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

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

Oxostephanine

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Quinoline, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

305.069

Molecular Formula

C₁₈H₁₁NO₄

SMILES

O=C1c2nccc3c2c(c2c1c(ccc2)OC)c1c(c3)OCO1

XLogP

2.409

PSA

57.650

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) In silico Comparison of Antimycobacterial Natural Products with Known Antituberculosis Drugs. Marlene Espinoza-Moraga, Nicholas M. Njuguna, Grace Mugumbate, Julio Caballero, and Kelly Chibale. Journal of Chemical Information and Modeling 2013 53 (3), 649-660

2) García, A., Bocanegra-García, V., Palma-Nicolás, J. P., Rivera, G. Vennerstrom, J. L. Recent Advances in Antitubercular Natural Products. Eur. J. Med. Chem. 2012, 49, 1-23

Curator

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