BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 4 Record - 1 of 88 [TOP]

Compound ID

1335

Compound Structure

Plant Source

Caesalpinia pulcherrima (L.) Sw. Common Name:Barbados Pride (English), Padangam, Ratnagandhi, Krishnachuudaa (Sanskrit)

Source Family

Caesalpiniaceae

Origin

India

Plant Part Used

Root

Extract

Dichloromethane

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 – 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

6β - Cinnamoyl - 7β - Hydroxyvouacapen - 5α - Ol

PubChem ID

6479669

Ethnomedicinal Information

Tuberculosis, bronchitis, asthma

PubMed ID [Source Literature]

14531033

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Terpene, Diterpene, Furanoid, Cinnamoyl, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

Against KB, BC, NCI - H187 cell lines

Molecular Weight

464.256

Molecular Formula

C₂₉H₃₆O₅

SMILES

O[C@]12[C@@]([C@@H]3[C@@H]([C@@H](O)[C@H]1OC(=O)/C=C/c1ccccc1)[C@H](c1c(occ1)C3)C)(CCCC2(C)C)C

XLogP

7.503

PSA

79.900

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) Promsawan N, Kittakoop P, Boonphong S, Nongkunsarn P.Antitubercular cassane furanoditerpenoids from the roots of Caesalpinia pulcherrima.Planta Med. 2003 Aug;69(8):776-7

2) Chopra, R.N., Nayar, S.L., Chopra, R.C., 1956. Glossary of Indian Medicinal Plants. Council of Scientific and Industrial Research, New Delhi, India

Curator

Record - 2 of 88 [TOP]

Compound ID

1554

Compound Structure

Plant Source

Croton kongensis Common Name:

Source Family

Lamiaceae

Origin

China

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ent - 8, 9 - Seco - 7α, 11β - Diacetoxykaura - 8 (14), 16 - Dien - 9, 15 - Dione

PubChem ID

3010860

Ethnomedicinal Information

Antimalarial activity, tuberculosis, dysmenorrheal treatment

PubMed ID [Source Literature]

12828479, 1511068

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Diterpene, O-Acetyl, Ketone

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

416.220

Molecular Formula

C₂₄H₃₂O₆

SMILES

O([C@@H]1C[C@H]2[C@@](CCCC2(C)C)(C(=O)[C@@H](OC(=O)C)C[C@@H]2C=C1C(=O)C2=C)C)C(=O)C

XLogP

3.668

PSA

86.740

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) Thongtan J, Kittakoop P, Ruangrungsi N, Saenboonrueng J, Thebtaranonth Y.New antimycobacterial and antimalarial 8,9-secokaurane diterpenes from Croton kongensis.J Nat Prod. 2003 Jun;66(6):868-70

2) Hendrix PG, Hoylaerts MF, Nouwen EJ, Van de Voorde A, De Broe ME.Magnetic beads in suspension enable a rapid and sensitive immunodetection of human placental alkaline phosphatase.Eur J Clin Chem Clin Biochem. 1992 Jun;30(6):343-7

Curator

Record - 3 of 88 [TOP]

Compound ID

1556

Compound Structure

Plant Source

Croton kongensis Common Name:

Source Family

Lamiaceae

Origin

China

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

Ent - 8, 9 - Seco - 7α - Hydroxy - 11β - Acetoxykaura - 8 (14), 16 - Dien - 9, 15 - Dione

PubChem ID

3010861

Ethnomedicinal Information

Antimalarial activity, tuberculosis, dysmenorrheal treatment

PubMed ID [Source Literature]

12828479, 1511068

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Diterpene, Ketone, Alcohol, O-Acetyl

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

374.209

Molecular Formula

C₂₂H₃₀O₅

SMILES

O=C1[C@]2([C@@H](C(CCC2)(C)C)C[C@@H](O)C2=C[C@@H](C[C@@H]1OC(=O)C)C(=C)C2=O)C

XLogP

2.928

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)

Curator

Record - 4 of 88 [TOP]

Compound ID

1959

Compound Structure

Plant Source

Juniperus communis Linn. Common Name:Common Juniper (English), Hapushaa, Havushaa, Haauber, Matsyagandha (Sanskrit)

Source Family

Cupressaceae

Origin

Worldwide, Mexico, India, British Columbia, particularly in Europe

Plant Part Used

Aerial

Extract

Target Bacteria

Mycobacterium aurum

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

4 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Trans - Communic Acid

PubChem ID

637125

Ethnomedicinal Information

Antiseptic properties. In France berries used in treatment of scrofula and chest complaints

PubMed ID [Source Literature]

19755141

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Diterpene, Alkene, Acid

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

302.225

Molecular Formula

C₂₀H₃₀O₂

SMILES

OC(=O)[C@@]1([C@H]2[C@@]([C@H](C(=C)CC2)C/C=C(C)/C=C)(CCC1)C)C

XLogP

6.407

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) Gordien AY, Gray AI, Franzblau SG, Seidel V.Antimycobacterial terpenoids from Juniperus communis L. (Cuppressaceae).J Ethnopharmacol. 2009 Dec 10;126(3):500-5

2) http://plants.usda.gov/java/profile?symbol=JUCO6

Curator

Record - 5 of 88 [TOP]

Compound ID

1962

Compound Structure

Plant Source

Juniperus excelsa M. Bieb. Common Name:Grecian Juniper

Source Family

Cupressaceae

Origin

India, Saudi Arabia

Plant Part Used

Fruit

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Micro Broth Dilution Method

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

14.4 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Juniperexcelsic acid

PubChem ID

490535

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

10234860

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Diterpene, Alkene, Acetyl, Acid

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

Against KB cells

Molecular Weight

362.246

Molecular Formula

C₂₂H₃₄O₄

SMILES

O(C1[C@](C2[C@@](C(C(CC2)C)CCC(=C)C=C)(CC1)C)(C)C(=O)O)C(=O)C

XLogP

6.661

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) Topçu G, Erenler R, Cakmak O, Johansson CB, Celik C, Chai HB, Pezzuto JM.Diterpenes from the berries of Juniperus excelsa.Phytochemistry. 1999 Apr;50(7):1195-9

2) http://www.pfaf.org/user/Plant.aspx?LatinName=Juniperus+excelsa

Curator

Record - 6 of 88 [TOP]

Compound ID

1963

Compound Structure

Plant Source

Juniperus excelsa M. Bieb. Common Name:Grecian Juniper

Source Family

Cupressaceae

Origin

India, Saudi Arabia

Plant Part Used

Fruit

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Micro Broth Dilution Method

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

15 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Sandaracopimaric acid

PubChem ID

221580

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

10234860

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Diterpene, Acid

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

Against KB cells

Molecular Weight

302.225

Molecular Formula

C₂₀H₃₀O₂

SMILES

OC(=O)[C@]1([C@H]2[C@@]([C@@H]3C(=C[C@@](CC3)(C)C=C)CC2)(CCC1)C)C

XLogP

6.935

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)

Curator

Record - 7 of 88 [TOP]

Compound ID

1964

Compound Structure

Plant Source

Juniperus excelsa M. Bieb. Common Name:Grecian Juniper

Source Family

Cupressaceae

Origin

India, Saudi Arabia

Plant Part Used

Fruit

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Micro Broth Dilution Method

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

6 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Sclareol

PubChem ID

73114

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

10234860

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Diterpene, Alcohol, Alkene

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

Against KB cells

Molecular Weight

308.272

Molecular Formula

C₂₀H₃₆O₂

SMILES

O[C@]1([C@@H]([C@@]2(C(C(CCC2)(C)C)CC1)C)CC[C@](O)(C)C=C)C

XLogP

5.989

PSA

40.460

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 8 of 88 [TOP]

Compound ID

1966

Compound Structure

Plant Source

Juniperus excelsa M. Bieb. Common Name:Grecian Juniper

Source Family

Cupressaceae

Origin

India, Saudi Arabia

Plant Part Used

Leaf

Extract

Ethanol

Target Bacteria

Mycobacterium smegmatis

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

32 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

(-) - Sandaracopimaric acid

PubChem ID

221580

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Diterpene, Acid

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

302.225

Molecular Formula

C₂₀H₃₀O₂

SMILES

OC(=O)[C@]1([C@H]2[C@@]([C@@H]3C(=C[C@@](CC3)(C)C=C)CC2)(CCC1)C)C

XLogP

6.935

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) I. Muhammad*, J.S. Mossa, F.S. El-Feraly.Antibacterial diterpenes from the leaves and seeds of Juniperus excelsa M. Bieb.Phytotherapy Research, Volume 6, Issue 5, pages 261–264, September/October 1992

2) http://www.pfaf.org/user/Plant.aspx?LatinName=Juniperus+excelsa

Curator

Record - 9 of 88 [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 - 10 of 88 [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 - 11 of 88 [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 - 12 of 88 [TOP]

Compound ID

2203

Compound Structure

Plant Source

Morinda citrifolia L. Common Name:Indian Mulberry (English), Ashyuka, Akshi, Atchy (Sanskrit)

Source Family

Rubiaceae

Origin

Malaysia, India

Plant Part Used

Leaf

Extract

Hexane

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Broth dilution assay using BACTEC system

Positive Control Used (conc.)

Rifampin (0.125 µg/ml)

Inhibition [%]

Crude: 89% and Hexane: 95 %

Activity [MIC] µg/ml

32 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

(E)-Phytol

PubChem ID

5280435

Ethnomedicinal Information

Asthma, joint pains, immune problems, pain relief, cellular regeneration, tuberculosis, respiratory disorders

PubMed ID [Source Literature]

12410555

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) Saludes JP, Garson MJ, Franzblau SG, Aguinaldo AM.Antitubercular constituents from the hexane fraction of Morinda citrifolia Linn. (Rubiaceae).Phytother Res. 2002 Nov;16(7):683-5

2) http://www.motherherbs.com/morinda-citrifolia.html

Curator

Record - 13 of 88 [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 - 14 of 88 [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 - 15 of 88 [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 - 16 of 88 [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 - 17 of 88 [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 - 18 of 88 [TOP]

Compound ID

2430

Compound Structure

Plant Source

Potamogeton malaianus Common Name:Curly Pondweed (English)

Source Family

Potamogetonaceae

Origin

India

Plant Part Used

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Potamogetonyde

PubChem ID

485584

Ethnomedicinal Information

Anti - inflammatory, tuberculosis

PubMed ID [Source Literature]

11277765

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Diterpene, Terpene, Furanoid, Acetyl, Alcohol, Aldehyde

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

358.214

Molecular Formula

C₂₂H₃₀O₄

SMILES

O(C[C@]1([C@@H]2[C@]([C@@H](C(=C)CC2)CCc2ccoc2)(CCC1)C=O)C)C(=O)C

XLogP

4.517

PSA

56.510

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) Kittakoop P, Wanasith S, Watts P, Kramyu J, Tanticharoen M, Thebtaranonth Y.Potent antiviral potamogetonyde and potamogetonol, new furanoid labdane diterpenes from Potamogeton malaianus.J Nat Prod. 2001 Mar;64(3):385-8

Curator

Record - 19 of 88 [TOP]

Compound ID

2431

Compound Structure

Plant Source

Potamogeton malaianus Common Name:Curly Pondweed (English)

Source Family

Potamogetonaceae

Origin

India

Plant Part Used

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

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

Potamogetonol

PubChem ID

485585

Ethnomedicinal Information

Anti - inflammatory, tuberculosis

PubMed ID [Source Literature]

11277765

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Diterpene, Terpene, Furanoid, Acetyl, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

360.230

Molecular Formula

C₂₂H₃₂O₄

SMILES

OC[C@]12[C@@H]([C@@](CCC1)(COC(=O)C)C)CCC(=C)[C@H]2CCc1ccoc1

XLogP

4.410

PSA

59.670

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)

Curator

Record - 20 of 88 [TOP]

Compound ID

2432

Compound Structure

Plant Source

Potamogeton malaianus Common Name:Curly Pondweed (English)

Source Family

Potamogetonaceae

Origin

India

Plant Part Used

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Potamogetonin

PubChem ID

6453492

Ethnomedicinal Information

Anti - inflammatory, tuberculosis

PubMed ID [Source Literature]

11277765

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Diterpene, Furanoid, Lactone

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

314.188

Molecular Formula

C₂₀H₂₆O₃

SMILES

CC12CCCC3(C1CCC(=C)C3CCC4=COC=C4)C(=O)OC2

XLogP

4.183

PSA

39.440

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 21 of 88 [TOP]

Compound ID

2433

Compound Structure

Plant Source

Potamogeton malaianus Common Name:Curly Pondweed (English)

Source Family

Potamogetonaceae

Origin

India

Plant Part Used

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

15,16-epoxy-12-oxo-8(17),13(16),14-labdatrien-20,19-olide

PubChem ID

5478978

Ethnomedicinal Information

Anti-inflammatory, tuberculosis

PubMed ID [Source Literature]

11277765

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Diterpene, Terpene, Furanoid, Lactone, Ketone, Acetyl, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

328.167

Molecular Formula

C₂₀H₂₄O₄

SMILES

O1C[C@]2([C@@H]3[C@]([C@@H](C(=C)CC3)CC(=O)c3ccoc3)(CCC2)C1=O)C

XLogP

2.899

PSA

56.510

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 88 [TOP]

Compound ID

2531

Compound Structure

Plant Source

Salvia Africana-lutea Common Name:Beach Salvia, Dune Salvia

Source Family

Lamiaceae

Origin

Africa

Plant Part Used

Extract

Target Bacteria

Mycobacterium aurum

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

2000 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Carnosic acid

PubChem ID

65126

Ethnomedicinal Information

Infections, tuberculosis, fever

PubMed ID [Source Literature]

17256988

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Diterpene, Acetoxy, Acid, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

332.199

Molecular Formula

C₂₀H₂₈O₄

SMILES

OC(=O)[C@@]12[C@H](C(CCC1)(C)C)CCc1c2c(O)c(O)c(c1)C(C)C

XLogP

5.183

PSA

77.760

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) Hussein AA, Meyer JJ, Jimeno ML, Reodríguez B.Bioactive diterpenes from Orthosiphon labiatus and Salvia africana-luta.J Nat Prod. 2007 Feb;70(2):293-5

2) Seaman, T., 2005. The antimicrobial and antimycobacterial activity of plants used for the treatment of respiratory ailments in Southern Africa and the isolation of anacardic acid from Ozoroa paniculosa. M.Sc. Dissertation. University of the Witwatersrand, South Africa

Curator

Record - 23 of 88 [TOP]

Compound ID

2532

Compound Structure

Plant Source

Salvia Africana-lutea Common Name:Beach Salvia, Dune Salvia

Source Family

Lamiaceae

Origin

Africa

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

9 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Carnosic acid

PubChem ID

65126

Ethnomedicinal Information

Infections, tuberculosis, fever

PubMed ID [Source Literature]

17256988

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Diterpene, Acetoxy, Acid, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

332.199

Molecular Formula

C₂₀H₂₈O₄

SMILES

OC(=O)[C@@]12[C@H](C(CCC1)(C)C)CCc1c2c(O)c(O)c(c1)C(C)C

XLogP

5.183

PSA

77.760

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) Hussein AA, Meyer JJ, Jimeno ML, Rodríguez B.Bioactive diterpenes from Orthosiphon labiatus and Salvia africana-lutea.J Nat Prod. 2007 Feb;70(2):293-5

Curator

Record - 24 of 88 [TOP]

Compound ID

2533

Compound Structure

Plant Source

Salvia Africana-lutea Common Name:Beach Salvia, Dune Salvia

Source Family

Lamiaceae

Origin

Africa

Plant Part Used

Extract

Target Bacteria

Mycobacterium smegmatis

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

8000 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Carnosic acid

PubChem ID

65126

Ethnomedicinal Information

Infections, tuberculosis, fever

PubMed ID [Source Literature]

17256988

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Diterpene, Acetoxy, Acid, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

332.199

Molecular Formula

C₂₀H₂₈O₄

SMILES

OC(=O)[C@@]12[C@H](C(CCC1)(C)C)CCc1c2c(O)c(O)c(c1)C(C)C

XLogP

5.183

PSA

77.760

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) Hussein AA, Meyer JJ, Jimeno ML, Rodríguez B.Bioactive diterpenes from Orthosiphon labiatus and Salvia africana-lutea.J Nat Prod. 2007 Feb;70(2):293-5

2) Seaman, T., 2005. The antimicrobial and antimycobacterial activity of plants used for the treatment of respiratory ailments in Southern Africa and the isolation of anacardic acid from Ozoroa paniculosa. M.Sc. Dissertation. University of the Witwatersrand, South Africa

Curator

Record - 25 of 88 [TOP]

Compound ID

2541

Compound Structure

Plant Source

Salvia multicaulis Vahl Common Name:

Source Family

Lamiaceae

Origin

Turkey

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Micro Broth Dilution Method

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

1.2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

12 - Methyl - 5 - dehydrohorminone

PubChem ID

467786

Ethnomedicinal Information

Used in traditional medicine and have been associated with antibacterial, antituberculous and antiphlogistic activities

PubMed ID [Source Literature]

9428161

Extract Preparation

The powdered roots of S. multicaulis (940 g) were extracted with acetone in a Soxhlet apparatus. The extract was evaporated in vacuo to give 23 g of a residue. The residue was fractionated by column chromatography on a silica gel column, eluted with petroleum ether, followed by a gradient of EtOAc up to 100% and then with EtOH. After TLC analysis, the combined fractions were purified by vacuum-liquid chromatography (VLC), eluting with petroleum ether and ethyl acetate

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Diterpene, Quinone, Ether, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

344.199

Molecular Formula

C₂₁H₂₈O₄

SMILES

O[C@@H]1C=C2[C@](CCCC2(C)C)(C2=C1C(=O)C(=C(OC)C2=O)C(C)C)C

XLogP

3.577

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) Ulubelen A, Topcu G, Johansson CB.Norditerpenoids and diterpenoids from Salvia multicaulis with antituberculous activity.J Nat Prod. 1997 Dec;60(12):1275-80

Curator

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