BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 2 Record - 1 of 50 [TOP]

Compound ID

1243

Compound Structure

Plant Source

Bauhinia saccocalyx Common Name:

Source Family

Fabaceae

Origin

Thailand

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

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

Bauhinoxepins A

PubChem ID

11723631

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Oxapin, Benzopyran, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

Against Vero, human epidermoid carcinoma in the mouth (KB) and human breast cancer cells (BC)

Molecular Weight

322.121

Molecular Formula

C₂₀H₁₈O₄

SMILES

O1C(C=Cc2c1c(c(O)c1Oc3c(C=Cc21)c(O)ccc3)C)(C)C

XLogP

3.407

PSA

58.920

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) Prasat Kittakoop, Sombat Nopichai, Nuntawan Thongon, Panarat Charoenchai, Yodhathai Thebtaranonth.Bauhinoxepins A and B: New Antimycobacterial Dibenzo[b,f]oxepins from Bauhinia saccocalyx.Helvetica Chimica Acta, Volume 87, Issue 1, pages 175–179, January 2004

Curator

Record - 2 of 50 [TOP]

Compound ID

1244

Compound Structure

Plant Source

Bauhinia saccocalyx Common Name:

Source Family

Fabaceae

Origin

Thailand

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Bauhinoxepins B

PubChem ID

3009552

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Oxapin, Prenylated, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

Against Vero, human epidermoid carcinoma in the mouth (KB) and human breast cancer cells (BC)

Molecular Weight

338.152

Molecular Formula

C₂₁H₂₂O₄

SMILES

O1c2c(c(O)c(CC=C(C)C)cc2)C=Cc2c1c(OC)c(c(O)c2)C

XLogP

3.996

PSA

58.920

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 - 3 of 50 [TOP]

Compound ID

1493

Compound Structure

Plant Source

Clinacanthus siamensis Brem. Common Name:Sophaghni, Vishaghni, Vishalata (Sanskrit)

Source Family

Acanthaceae

Origin

Thailand

Plant Part Used

Fresh leaf

Extract

Ethanol

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.040 - 0.090 µg/ml) and Kanamycin sulphate (2.0 - 5.0 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Trans - 3 - Methylthioacrylamide

PubChem ID

11819072

Ethnomedicinal Information

Poison bites, inflammation, traumatic edema and swelling due to poison stings.

PubMed ID [Source Literature]

14646322

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aliphatic, Alkene, Amide, Thioether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

117.025

Molecular Formula

C₄H₇NOS

SMILES

S(/C=C/C(=O)N)C

XLogP

0.313

PSA

68.390

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) Tuntiwachwuttikul P, Pootaeng-on Y, Pansa P, Srisanpang T, Taylor WC.Sulfur-containing compounds from Clinacanthus siamensis.Chem Pharm Bull (Tokyo). 2003 Dec;51(12):1423-5

2) http://ayurvedicmedicinalplants.com/index.php?option=com_zoom&Itemid=26&page=view&catid=3&key=63&hit=1

Curator

Record - 4 of 50 [TOP]

Compound ID

1624

Compound Structure

Plant Source

Elateriospermum tapos Blume Common Name:

Source Family

Euphorbiaceae

Origin

Thailand

Plant Part Used

Leaf

Extract

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.05 µg/ml), Kanamycin (1.25 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

3.13 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

2, 3 - Seco - Taraxer - 14 - Ene - 2, 3, 28 - Trioic Acid 2, 3 - Dimethyl Ester

PubChem ID

44448123

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

18179177

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Terpene, Triterpene, Ester, Acid

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

530.361

Molecular Formula

C₃₂H₅₀O₆

SMILES

OC(=O)[C@]12C([C@]3(C(=CC1)[C@]1(C([C@](C(CC1)C(C)(C)C(=O)OC)(CC(=O)OC)C)CC3)C)C)CC(CC2)(C)C

XLogP

7.979

PSA

89.900

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) Pattamadilok D, Suttisri R.Seco-terpenoids and other constituents from Elateriospermum tapos.J Nat Prod. 2008 Feb;71(2):292-4

Curator

Record - 5 of 50 [TOP]

Compound ID

2043

Compound Structure

Plant Source

Limnophila geoffrayi Common Name:Geoffrey's Marshweed

Source Family

Scrophulariaceae

Origin

Thailand

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampicin (0.003 - 0.0047 µg/ml), Isoniazid (0.025 - 0.05 µg/ml), Kanamycin Sulfate (1.25 - 2.5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Nevadensin

PubChem ID

160921

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

14609129

Extract Preparation

The pulverized, dried aerial plant material (615 g) was extracted successively with n-hexane, CHCl₃ and MeOH in a Soxhlet apparatus to give the hexane (7.52 g), CHCl₃ (7.79 g) and MeOH (50.10 g) extracts, respectively

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Flavonoid, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

344.090

Molecular Formula

C₁₈H₁₆O₇

SMILES

O1c2c(c(O)c(OC)c(O)c2OC)c(=O)cc1c1ccc(OC)cc1

XLogP

0.757

PSA

85.220

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) Suksamrarn A, Poomsing P, Aroonrerk N, Punjanon T, Suksamrarn S, Kongkun S.Antimycobacterial and antioxidant flavones from Limnophila geoffrayi.Arch Pharm Res. 2003 Oct;26(10):816-20

2) http://www.oswaldasia.org/species/l/limge/limge_en.html

Curator

Record - 6 of 50 [TOP]

Compound ID

2044

Compound Structure

Plant Source

Limnophila geoffrayi Common Name:Geoffrey's Marshweed

Source Family

Scrophulariaceae

Origin

Thailand

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampicin (0.003 - 0.0047 µg/ml), Isoniazid (0.025 - 0.05 µg/ml), Kanamycin Sulfate (1.25 - 2.5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Isothymusin

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

14609129

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Flavonoid, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

330.074

Molecular Formula

C₁₇H₁₄O₇

SMILES

C1(c(c(c(c2c1oc(cc2=O)c1ccc(cc1)O)O)OC)OC)O

XLogP

0.595

PSA

96.220

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 - 7 of 50 [TOP]

Compound ID

2298

Compound Structure

Plant Source

Pedilanthus tithymaloides Common Name:Devil's Backbone, Zigzag Plant, Jacob's Ladder

Source Family

Euphorbiaceae

Origin

Thailand, Tropical America

Plant Part Used

Milky juice or latex

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.1 µg/ml), Kanamycin (2.5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

1α, 13β, 14α - trihydroxy - 3β, 7β - dibenzoyloxy - 9β, 15β - diacetoxyjatropha - 5, 11 E - diene

PubChem ID

23642402

Ethnomedicinal Information

Anti - inflammatory, antioxidant, anti - malaria

PubMed ID [Source Literature]

17844996

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Diterpene, Jatrophane, Benzoyl, Acetyl

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

678.304

Molecular Formula

C₃₈H₄₆O₁₁

SMILES

O([C@@]12[C@H]([C@@H](OC(=O)c3ccccc3)[C@H]([C@@H]1O)C)/C=C([C@H](OC(=O)c1ccccc1)C[C@H](OC(=O)C)C(/C=C/[C@](O)([C@H]2O)C)(C)C)/C)C(=O)C

XLogP

6.947

PSA

165.890

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) Mongkolvisut W, Sutthivaiyakit S.Antimalarial and antituberculous poly-O-acylated jatrophane diterpenoids from Pedilanthus tithymaloides.J Nat Prod. 2007 Sep;70(9):1434-8

2) http://www.flowersofIndia.net/catalog/slides/Devil%27s%20Backbone.html

Curator

Record - 8 of 50 [TOP]

Compound ID

2299

Compound Structure

Plant Source

Pedilanthus tithymaloides Common Name:Devil's Backbone, Zigzag Plant, Jacob's Ladder

Source Family

Euphorbiaceae

Origin

Thailand, Tropical America

Plant Part Used

Milky juice or latex

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.1 µg/ml), Kanamycin (2.5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

1α, 7β, 13β, 14α - tetrahydroxy - 3β - benzoyloxy - 9β, 15β - diacetoxyjatropha - 5,11 E - diene

PubChem ID

23642403

Ethnomedicinal Information

Anti - inflammatory, antioxidant, anti - malaria

PubMed ID [Source Literature]

17844996

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Diterpene, Jatrophane, Benzoyl, Acetyl, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

574.278

Molecular Formula

C₃₁H₄₂O₁₀

SMILES

O([C@@]12[C@H]([C@@H](OC(=O)c3ccccc3)[C@H]([C@@H]1O)C)/C=C([C@H](O)C[C@H](OC(=O)C)C(/C=C/[C@](O)([C@H]2O)C)(C)C)/C)C(=O)C

XLogP

3.461

PSA

159.820

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 - 9 of 50 [TOP]

Compound ID

2300

Compound Structure

Plant Source

Pedilanthus tithymaloides Common Name:Devil's Backbone, Zigzag Plant, Jacob's Ladder

Source Family

Euphorbiaceae

Origin

Thailand, Tropical America

Plant Part Used

Milky juice or latex

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.1 µg/ml), Kanamycin (2.5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

1α, 8β, 9β, 14α, 15β - pentaacetoxy - 3β - benzoyloxy - 7 - oxojatropha - 5, 12 - diene

PubChem ID

23642498

Ethnomedicinal Information

Anti - inflammatory, antioxidant, anti - malaria

PubMed ID [Source Literature]

17844996

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Diterpene, Jatrophane, Ketone, Benzoyl, Acetyl

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

698.294

Molecular Formula

C₃₇H₄₆O₁₃

SMILES

O([C@@]12[C@H]([C@@H](OC(=O)c3ccccc3)[C@H]([C@@H]1OC(=O)C)C)/C=C(C(=O)[C@H](OC(=O)C)[C@H](OC(=O)C)C(C/C=C(/[C@H]2OC(=O)C)C)(C)C)/C)C(=O)C

XLogP

5.514

PSA

174.870

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 - 10 of 50 [TOP]

Compound ID

2301

Compound Structure

Plant Source

Pedilanthus tithymaloides Common Name:Devil's Backbone, Zigzag Plant, Jacob's Ladder

Source Family

Euphorbiaceae

Origin

Thailand,Tropical America

Plant Part Used

Milky juice or latex

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.1 µg/ml), Kanamycin (2.5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

7, 8β, 9β, 14α, 15β - Pentaacetoxy - 3β - benzoyloxy - 1α, 5β - dihydroxyjatropha - 6 (7), 12 - diene

PubChem ID

23642499

Ethnomedicinal Information

Anti - inflammatory, antioxidant, anti - malaria

PubMed ID [Source Literature]

17844996

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Diterpene, Jatrophane, Benzoyl, Acetyl, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

716.304

Molecular Formula

C₃₇H₄₈O₁₄

SMILES

O([C@@]12[C@H]([C@@H](OC(=O)c3ccccc3)[C@H]([C@@H]1O)C)[C@H](O)/C(=C(/OC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)C(C/C=C(/[C@H]2OC(=O)C)C)(C)C)/C)C(=O)C

XLogP

4.498

PSA

198.260

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 - 11 of 50 [TOP]

Compound ID

2302

Compound Structure

Plant Source

Pedilanthus tithymaloides Common Name:Devil's Backbone, Zigzag Plant, Jacob's Ladder

Source Family

Euphorbiaceae

Origin

Thailand,Tropical America

Plant Part Used

Milky juice or latex

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.1 µg/ml), Kanamycin (2.5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

1α, 7, 8β, 9β, 14α, 15β - Hexaacetoxy - 3β - benzoyloxy - 5β - hydroxyjatropha - 6 (7), 12 - diene

PubChem ID

23642500

Ethnomedicinal Information

Anti - inflammatory, antioxidant, anti - malaria

PubMed ID [Source Literature]

17844996

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Diterpene, Jatrophane, Benzoyl, Acetyl, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

758.315

Molecular Formula

C₃₉H₅₀O₁₅

SMILES

O([C@@]12[C@H]([C@@H](OC(=O)c3ccccc3)[C@H]([C@@H]1OC(=O)C)C)[C@H](O)/C(=C(/OC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)C(C/C=C(/[C@H]2OC(=O)C)C)(C)C)/C)C(=O)C

XLogP

5.238

PSA

204.330

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 - 12 of 50 [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 - 13 of 50 [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 - 14 of 50 [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 - 15 of 50 [TOP]

Compound ID

1799

Compound Structure

Plant Source

Garcinia mangostana Common Name:Mangosteen

Source Family

Clusiaceae

Origin

Thailand, Malaysia

Plant Part Used

Arils and seed

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampicin (0.003 - 0.0047 µg/ml), Isoniazid (0.025 - 0.05 µg/ml), Kanamycin sulfate (1.25 - 2.5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

9 - Hydroxycalabaxanthone

PubChem ID

Ethnomedicinal Information

Treatment of diarrhea and dysentery and for skin diseases, to lower fever and for urinary disorders

PubMed ID [Source Literature]

12843596

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Xanthanoid, Benzopyran, Prenylated, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

422.173

Molecular Formula

C₂₅H₂₆O₆

SMILES

C1(c(c(cc2c1c(=O)c1c(o2)cc2c(c1O)C=CC(O2)(C)C)O)OC)CCC=C(C)C

XLogP

3.609

PSA

85.220

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) Suksamrarn S, Suwannapoch N, Phakhodee W, Thanuhiranlert J, Ratananukul P, Chimnoi N, Suksamrarn A.Antimycobacterial activity of prenylated xanthones from the fruits of Garcinia mangostana.Chem Pharm Bull (Tokyo). 2003 Jul;51(7):857-9

2) http://www.montosogardens.com/garcinia_mangostana.htm

Curator

Record - 16 of 50 [TOP]

Compound ID

3090

Compound Structure

Plant Source

Prismatomeris fragrans E.T. Geddes Common Name:Khao - San

Source Family

Rubiaceae

Origin

Northeastern, Eastern and Southeastern parts of Thailand and in the Northwest of Laos

Plant Part Used

Root, stem

Extract

Hexane, dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

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

Inhibition [%]

Activity [MIC] µg/ml

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Nordamnacanthal

PubChem ID

160712

Ethnomedicinal Information

Antimalarial, antifungal

PubMed ID [Source Literature]

15885942

Extract Preparation

Air dried roots and stems ground and extracted with solvents hexane and dichloromethane

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Quinone, Phenol, Aldehyde

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against human epidermoid carcinoma in the mouth (KB), human breast cancer cells (BC), human lung cancer cells (NCI - H187)

Molecular Weight

268.037

Molecular Formula

C₁₅H₈O₅

SMILES

Oc1c2c(C(=O)c3c(C2=O)cccc3)cc(O)c1C=O

XLogP

2.235

PSA

91.670

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 K, Kanokmedhakul S, Phatchana R.Biological activity of Anthraquinones and Triterpenoids from Prismatomeris fragrans.J Ethnopharmacol. 2005 Sep 14;100(3):284-8

Curator

KeyaMukherjee

Record - 17 of 50 [TOP]

Compound ID

3091

Compound Structure

Plant Source

Prismatomeris fragrans E.T. Geddes Common Name:Khao - San

Source Family

Rubiaceae

Origin

Northeastern, Eastern and Southeastern parts of Thailand and in the Northwest of Laos

Plant Part Used

Root, stem

Extract

Hexane, dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

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

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Damnacanthal

PubChem ID

2948

Ethnomedicinal Information

Antimalarial, antifungal

PubMed ID [Source Literature]

15885942

Extract Preparation

Air dried roots and stems ground and extracted with solvents hexane and dichloromethane

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Alkaloid, Anthraquinone, Aldehyde

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against human epidermoid carcinoma in the mouth (KB), human breast cancer cells (BC), human lung cancer cells (NCI - H187)

Molecular Weight

282.053

Molecular Formula

C₁₆H₁₀O₅

SMILES

O(c1c2c(C(=O)c3c(C2=O)cccc3)cc(O)c1C=O)C

XLogP

2.325

PSA

80.670

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 K, Kanokmedhakul S, Phatchana R.Biological activity of Anthraquinones and Triterpenoids from Prismatomeris fragrans.J Ethnopharmacol. 2005 Sep 14;100(3):284-8

Curator

KeyaMukherjee

Record - 18 of 50 [TOP]

Compound ID

3092

Compound Structure

Plant Source

Prismatomeris fragrans E.T. Geddes Common Name:Khao - San

Source Family

Rubiaceae

Origin

Northeastern, Eastern and Southeastern parts of Thailand and in the Northwest of Laos

Plant Part Used

Root, stem

Extract

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

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

Inhibition [%]

Activity [MIC] µg/ml

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Rubiadin

PubChem ID

124062

Ethnomedicinal Information

Antimalarial, antifungal

PubMed ID [Source Literature]

15885942

Extract Preparation

Air dried roots and stems ground and extracted with solvents hexane and dichloromethane

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Anthraquinone, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against human epidermoid carcinoma in the mouth (KB), human breast cancer cells (BC), human lung cancer cells (NCI - H187)

Molecular Weight

254.058

Molecular Formula

C₁₅H₁₀O₄

SMILES

Oc1c2c(C(=O)c3c(C2=O)cccc3)cc(O)c1C

XLogP

1.838

PSA

74.600

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 K, Kanokmedhakul S, Phatchana R.Biological activity of Anthraquinones and Triterpenoids from Prismatomeris fragrans.J Ethnopharmacol. 2005 Sep 14;100(3):284-8

Curator

KeyaMukherjee, vsheeba

Record - 19 of 50 [TOP]

Compound ID

3093

Compound Structure

Plant Source

Prismatomeris fragrans E.T. Geddes Common Name:Khao - San

Source Family

Rubiaceae

Origin

Northeastern, Eastern and Southeastern parts of Thailand and in the Northwest of Laos

Plant Part Used

Root, stem

Extract

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

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

Inhibition [%]

Activity [MIC] µg/ml

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

1 - Hydroxy - 2 - Hydroxymethyl - 3 - Methoxyanthraquinone

PubChem ID

10085264

Ethnomedicinal Information

PubMed ID [Source Literature]

15885942

Extract Preparation

Air dried roots and stems ground and extracted with solvents hexane and dichloromethane

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Anthraquinone, Alcohol, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against human epidermoid carcinoma in the mouth (KB), human breast cancer cells (BC), human lung cancer cells (NCI - H187)

Molecular Weight

284.068

Molecular Formula

C₁₆H₁₂O₅

SMILES

O(c1c(c(O)c2c(C(=O)c3c(C2=O)cccc3)c1)CO)C

XLogP

1.654

PSA

83.830

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 K, Kanokmedhakul S, Phatchana R.Biological activity of Anthraquinones and Triterpenoids from Prismatomeris fragrans.J Ethnopharmacol. 2005 Sep 14;100(3):284-8

Curator

KeyaMukherjee, vsheeba

Record - 20 of 50 [TOP]

Compound ID

3094

Compound Structure

Plant Source

Prismatomeris fragrans E.T. Geddes Common Name:Khao - San

Source Family

Rubiaceae

Origin

Northeastern, Eastern and Southeastern parts of Thailand and in the Northwest of Laos

Plant Part Used

Root, stem

Extract

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Kanamycin Sulphate (2.5 µg/ml), Isoniazid (0.07 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

3 - β - Acetylolean - 12 - En - 28 - Olic Acid

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15885942

Extract Preparation

Air dried roots and stems ground and extracted with solvents hexane and dichloromethane

Chemical Classification [Active Compound]

Aromatic, Pentacyclic, Terpene, Triterpene, O-Acetyl, Acid

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against human epidermoid carcinoma in the mouth (KB), human breast cancer cells (BC), human lung cancer cells (NCI - H187)

Molecular Weight

498.371

Molecular Formula

C₃₂H₅₀O₄

SMILES

C1C[C@@H](C(C2[C@]1(C1[C@@](CC2)(C2(C(=CC1)C1[C@@](CC2)(CCC(C1)(C)C)C(=O)O)C)C)C)(C)C)OC(=O)C

XLogP

9.792

PSA

63.600

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 K, Kanokmedhakul S, Phatchana R.Biological activity of Anthraquinones and Triterpenoids from Prismatomeris fragrans.J Ethnopharmacol. 2005 Sep 14;100(3):284-8

Curator

KeyaMukherjee, vsheeba

Record - 21 of 50 [TOP]

Compound ID

1798

Compound Structure

Plant Source

Garcinia mangostana Common Name:Mangosteen

Source Family

Clusiaceae

Origin

Thailand, Malaysia

Plant Part Used

Fruit

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampicin (0.003 - 0.0047 µg/ml), Isoniazid (0.025 - 0.05 µg/ml), Kanamycin sulfate (1.25 - 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

Garcinone B

PubChem ID

5495928

Ethnomedicinal Information

Treatment of diarrhea and dysentery and for skin diseases, to lower fever and for urinary disorders

PubMed ID [Source Literature]

12843596

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Xanthonoid, Benzopyran, Prenylated, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

394.142

Molecular Formula

C₂₃H₂₂O₆

SMILES

O1C(C=Cc2c3c(oc4c(c3=O)c(O)c(c(O)c4)CC=C(C)C)cc(O)c12)(C)C

XLogP

2.203

PSA

86.990

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 - 22 of 50 [TOP]

Compound ID

1796

Compound Structure

Plant Source

Garcinia mangostana Common Name:Mangosteen

Source Family

Clusiaceae

Origin

Thailand, Malaysia

Plant Part Used

Fruit

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampicin (0.003 - 0.0047 µg/ml), Isoniazid (0.025 - 0.05 µg/ml), Kanamycin sulfate (1.25 - 2.5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Garcinone D

PubChem ID

5495926

Ethnomedicinal Information

Treatment of diarrhea and dysentery and for skin diseases, to lower fever and for urinary disorders

PubMed ID [Source Literature]

12843596

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Xanthonoid, Prenylated, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

428.184

Molecular Formula

C₂₄H₂₈O₇

SMILES

OC(CCc1c2c(oc3c(c2=O)c(O)c(c(O)c3)CC=C(C)C)cc(O)c1OC)(C)C

XLogP

1.895

PSA

107.220

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 - 23 of 50 [TOP]

Compound ID

3573

Compound Structure

Plant Source

Garcinia mangostana Common Name:Mangosteen

Source Family

Clusiaceae

Origin

Southeast Asian countries (Thailand, Malaysia)

Plant Part Used

Fruit hull, fresh aril, seed

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.003 - 0.0047 µg/ml), Isoniazid (0.025 - 0.05 µg/ml), Kanamycin sulphate (1.25 - 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 - Mangostin

PubChem ID

5281650

Ethnomedicinal Information

Skin infections, wounds and diarrhea, to lower fever and for urinary disorders

PubMed ID [Source Literature]

12843596

Extract Preparation

MeOH extract were obtained from the fresh green fruit hulls of Garcinia mangostana. Pulverized, fresh arils and seeds were extracted throroughly with MeOH and evaporation of the solvent gave crude extract. The crude extract was partitioned between CHCl₃ and H₂O to afford CHCl₃ extract

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Xanthonoid, Prenylated, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

7H9GC medium

Cytotoxicity Assay [AID]

Molecular Weight

410.173

Molecular Formula

C₂₄H₂₆O₆

SMILES

O1c2c(c(CC=C(C)C)c(OC)c(O)c2)c(=O)c2c1cc(O)c(c2O)CC=C(C)C

XLogP

2.792

PSA

86.990

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

Gppreetha, vikramjitmandal, reshmi

Record - 24 of 50 [TOP]

Compound ID

3705

Compound Structure

Plant Source

Kaempferia marginata Common Name:Tup Mup

Source Family

Zingiberaceae

Origin

Thailand

Plant Part Used

Whole plant

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.1 µg/ml), Kanamycin (2.5 µg/ml), Rifampin (0.0023 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Sandaracopimaradien - 1 - α - Ol

PubChem ID

Ethnomedicinal Information

Roots have been used in the treatment of allergy, fever and swollen leg

PubMed ID [Source Literature]

16309313

Extract Preparation

The dried and milled whole plant (619 g) was extracted three times (3 × 2 l) by maceration with MeOH at room temperature. After filtration and evaporation of the solvent under reduced pressure, the combined crude MeOH extract was partitioned between CH₂Cl₂ and H₂O to afford CH₂Cl₂ (41 g) and H₂O - MeOH (22.8 g) extracts. The CH₂Cl₂ - soluble extract was subjected to silica gel column chromatography to yield the fractions

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Diterpene, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

302.261

Molecular Formula

C₂₁H₃₄O

SMILES

C1=C2[C@](CC[C@]1(C)C=C)([C@]1(CCC[C@]([C@@]1(CC2)C)(C)O)C)C

XLogP

7.243

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) Thongnest S, Mahidol C, Sutthivaiyakit S, Ruchirawat S.Oxygenated pimarane diterpenes from Kaempferia marginata.J Nat Prod. 2005 Nov;68(11):1632-6

Curator

Gppreetha

Record - 25 of 50 [TOP]

Compound ID

3706

Compound Structure

Plant Source

Kaempferia marginata Common Name:Tup Mup

Source Family

Zingiberaceae

Origin

Thailand

Plant Part Used

Whole plant

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.1 µg/ml), Kanamycin (2.5 µg/ml), Rifampin (0.0023 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

2α - Acetoxysandaracopimaradien - 1α - Ol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

16309313

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Diterpene, Acetoxy

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

302.225

Molecular Formula

C₂₀H₃₀O₂

SMILES

C1(=O)CCC([C@H]2[C@]1([C@@H]1C(=C[C@@](CC1)(C)C=C)C[C@H]2O)C)(C)C

XLogP

4.441

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) Thongnest S, Mahidol C, Sutthivaiyakit S, Ruchirawat S.Oxygenated pimarane diterpenes from Kaempferia marginata.J Nat Prod. 2005 Nov;68(11):1632-6

Curator

Gppreetha

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