BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 2 Record - 1 of 44 [TOP]

Compound ID

1474

Compound Structure

Plant Source

Clausena excavata Burm. f. Common Name:Clausena (English)

Source Family

Rutaceae

Origin

India

Plant Part Used

Rhizome

Extract

Chloroform

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.040 – 0.090 µg/ml), Kanamycin sulphate (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

Dentatin

PubChem ID

342801

Ethnomedicinal Information

Fever, indigestion, malaria, colic, muscular pain, diuretic and as tonic; the allied species C. wampi Blanco for bronchitis, in Thai folk medicine for cold

PubMed ID [Source Literature]

12624822

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Coumarin, Benzopyran, Alkene, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

Against KB and BC - 1 cell lines

Molecular Weight

326.152

Molecular Formula

C₂₀H₂₂O₄

SMILES

O1c2c(C(C)(C)C=C)c3oc(=O)ccc3c(OC)c2C=CC1(C)C

XLogP

4.812

PSA

35.530

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) Sunthitikawinsakul A, Kongkathip N, Kongkathip B, Phonnakhu S, Daly JW, Spande TF, Nimit Y, Rochanaruangrai S.Coumarins and carbazoles from Clausena excavata exhibited antimycobacterial and antifungal activities.Planta Med. 2003 Feb;69(2):155-7

2) Kirtikar, K.R., Basu, B.D., 1935. Indian Medicinal Plants, vols. 1–4. Lalit Mohan Basu, Allahabad, India

Curator

Record - 2 of 44 [TOP]

Compound ID

1475

Compound Structure

Plant Source

Clausena excavata Burm. f. Common Name:Clausena (English)

Source Family

Rutaceae

Origin

India

Plant Part Used

Rhizome

Extract

Chloroform

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.040 – 0.090 µg/ml), Kanamycin sulphate (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

Nor - Dentatin

PubChem ID

5495613

Ethnomedicinal Information

Fever, indigestion, malaria, colic, muscular pain, diuretic and as tonic; the allied species C. wampi Blanco for bronchitis, in Thai folk medicine for cold

PubMed ID [Source Literature]

12624822

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Coumarin, Benzopyran, Alkene, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

Against KB and BC - 1 cell lines

Molecular Weight

312.136

Molecular Formula

C₁₉H₂₀O₄

SMILES

O1c2c(C(C)(C)C=C)c3oc(=O)ccc3c(O)c2C=CC1(C)C

XLogP

4.293

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

Record - 3 of 44 [TOP]

Compound ID

1476

Compound Structure

Plant Source

Clausena excavata Burm. f. Common Name:Clausena (English)

Source Family

Rutaceae

Origin

India

Plant Part Used

Rhizome

Extract

Chloroform

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.040 – 0.090 µg/ml), Kanamycin sulphate (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

Clausenidin

PubChem ID

5315947

Ethnomedicinal Information

Fever, indigestion, malaria, colic, muscular pain, diuretic and as tonic; the allied species C. wampi Blanco for bronchitis, in Thai folk medicine for cold

PubMed ID [Source Literature]

12624822

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Coumarin, Chromone, Alkene, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

Against KB and BC - 1 cell lines

Molecular Weight

328.131

Molecular Formula

C₁₉H₂₀O₅

SMILES

O1C(CC(=O)c2c1c(C(C)(C)C=C)c1oc(=O)ccc1c2O)(C)C

XLogP

3.411

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)

Curator

Record - 4 of 44 [TOP]

Compound ID

1482

Compound Structure

Plant Source

Clausena excavata Burm. f. Common Name:Clausena (English)

Source Family

Rutaceae

Origin

India

Plant Part Used

Root

Extract

Chloroform

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.040 – 0.090 µg/ml), Kanamycin sulphate (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

O - Methylated Clausenidin

PubChem ID

504066

Ethnomedicinal Information

Fever, indigestion, malaria, colic, muscular pain, diuretic and as tonic; the allied species C. wampi Blanco for bronchitis, in Thai folk medicine for cold

PubMed ID [Source Literature]

12624822

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Coumarin, Chromone, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

342.147

Molecular Formula

C₂₀H₂₂O₅

SMILES

O1C(CC(=O)c2c1c(C(C)(C)C=C)c1oc(=O)ccc1c2OC)(C)C

XLogP

3.930

PSA

52.600

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)

Curator

Record - 5 of 44 [TOP]

Compound ID

1738

Compound Structure

Plant Source

Ferula communis Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Saudi Arabia

Plant Part Used

Rhizome

Extract

Target Bacteria

Mycobacterium intracellulare

Assay / Test Done

Positive Control Used (conc.)

Amikacin (0.25 µg/ml), Streptomycin (10 µg/ml), Isoniazid (10 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

1.25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ferulenol

PubChem ID

54679300

Ethnomedicinal Information

Anti-mycobacterial

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

366.219

Molecular Formula

C₂₄H₃₀O₃

SMILES

O1c2c(c(O)c(C/C=C(/CC/C=C(/CCC=C(C)C)C)C)c1=O)cccc2

XLogP

8.182

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) Mohammed A. Al-Yahya, Ilias Muhammad, Humayun H. Mirza, Farouk S. El-Feraly.Antibacterial constituents from the rhizomes of Ferula communis.Phytotherapy Research.12/1998;12(5):335-339

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

Curator

Record - 6 of 44 [TOP]

Compound ID

1743

Compound Structure

Plant Source

Ficus nervosa Synonym : Ficus angustifolia Roxb Common Name:Wild Banyan Tree (English)

Source Family

Moraceae

Origin

India

Plant Part Used

Root

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Middlebrook 7 H10 agar method

Positive Control Used (conc.)

Ethambutol (6.25 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

16 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

3 - Hydroxyxanthyletin

PubChem ID

46927870

Ethnomedicinal Information

Used in treatment of cough and asthma

PubMed ID [Source Literature]

20658670

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Coumarin, Benzopyran, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

244.074

Molecular Formula

C₁₄H₁₂O₄

SMILES

O1C(C=Cc2c1cc1oc(=O)c(O)cc1c2)(C)C

XLogP

3.940

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)

1) Chen LW, Cheng MJ, Peng CF, Chen IS. Secondary Metabolites and Antimycobacterial Activities from the Roots of Ficus nervosa, Chemistry & Biodiversity Volume 7, Issue 7, pages 1814–1821, July 2010

Curator

Record - 7 of 44 [TOP]

Compound ID

1744

Compound Structure

Plant Source

Ficus nervosa Synonym : Ficus angustifolia Roxb Common Name:Wild Banyan Tree (English)

Source Family

Moraceae

Origin

India

Plant Part Used

Root

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Middlebrook 7 H10 agar method

Positive Control Used (conc.)

Ethambutol (6.25 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

220 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Xanthyletin

PubChem ID

65188

Ethnomedicinal Information

Used in treatment of cough and asthma

PubMed ID [Source Literature]

20658670

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Coumarin, Benzopyran

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

228.079

Molecular Formula

C₁₄H₁₂O₃

SMILES

O1C(C=Cc2c1cc1oc(=O)ccc1c2)(C)C

XLogP

3.456

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

Record - 8 of 44 [TOP]

Compound ID

1745

Compound Structure

Plant Source

Ficus nervosa Synonym : Ficus angustifolia Roxb Common Name:Wild Banyan Tree (English)

Source Family

Moraceae

Origin

India

Plant Part Used

Root

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Middlebrook 7 H10 agar method

Positive Control Used (conc.)

Ethambutol (6.25 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

150 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Umbelliferone

PubChem ID

5281426

Ethnomedicinal Information

Used in treatment of cough and asthma

PubMed ID [Source Literature]

20658670

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Coumarin, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

162.032

Molecular Formula

C₉H₆O₃

SMILES

O1c2c(ccc(O)c2)ccc1=O

XLogP

2.056

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 - 9 of 44 [TOP]

Compound ID

1746

Compound Structure

Plant Source

Ficus nervosa Synonym : Ficus angustifolia Roxb Common Name:Wild Banyan Tree (English)

Source Family

Moraceae

Origin

India

Plant Part Used

Root

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Middlebrook 7 H10 agar method

Positive Control Used (conc.)

Ethambutol (6.25 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

>= 110 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Scopoletin

PubChem ID

5280460

Ethnomedicinal Information

Used in treatment of cough and asthma

PubMed ID [Source Literature]

20658670

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Coumarin, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

192.042

Molecular Formula

C₁₀H₈O₄

SMILES

O1c2c(cc(OC)c(O)c2)ccc1=O

XLogP

1.612

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

Record - 10 of 44 [TOP]

Compound ID

2317

Compound Structure

Plant Source

Peucedanum ostruthium Koch Common Name:Masterwort

Source Family

Apiaceae (Umbelliferae)

Origin

China

Plant Part Used

Root

Extract

Target Bacteria

Mycobacterium aurum (PI 104 482)

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

1 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ostruthin

PubChem ID

5281420

Ethnomedicinal Information

Has folkloric reputation for the topical treatment of athletes foot

PubMed ID [Source Literature]

12709907

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Coumarin, Prenylated, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

298.157

Molecular Formula

C₁₉H₂₂O₃

SMILES

O1c2c(cc(C/C=C(/CCC=C(C)C)C)c(O)c2)ccc1=O

XLogP

5.348

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) Schinkovitz A, Gibbons S, Stavri M, Cocksedge MJ, Bucar F.Ostruthin: an antimycobacterial coumarin from the Roots of Peucedanum ostruthium. Planta Med. 2003 Apr;69(4):369-7

Curator

Record - 11 of 44 [TOP]

Compound ID

2318

Compound Structure

Plant Source

Peucedanum ostruthium Koch Common Name:Masterwort

Source Family

Apiaceae (Umbelliferae)

Origin

China

Plant Part Used

Root

Extract

Target Bacteria

Mycobacterium fortuitum (ATCC 6841)

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

Ostruthin

PubChem ID

5281420

Ethnomedicinal Information

Has folkloric reputation for the topical treatment of athletes foot

PubMed ID [Source Literature]

12709907

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Coumarin, Prenylated, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

298.157

Molecular Formula

C₁₉H₂₂O₃

SMILES

O1c2c(cc(C/C=C(/CCC=C(C)C)C)c(O)c2)ccc1=O

XLogP

5.348

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) Schinkovitz A, Gibbons S, Stavri M, Cocksedge MJ, Bucar F.Ostruthin: an antimycobacterial coumarin from the Roots of Peucedanum ostruthium. Planta Med. 2003 Apr;69(4):369-7

Curator

Record - 12 of 44 [TOP]

Compound ID

2319

Compound Structure

Plant Source

Peucedanum ostruthium Koch Common Name:Masterwort

Source Family

Apiaceae (Umbelliferae)

Origin

China

Plant Part Used

Root

Extract

Target Bacteria

Mycobacterium phlei (ATCC 11 758)

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

Ostruthin

PubChem ID

5281420

Ethnomedicinal Information

Has folkloric reputation for the topical treatment of athletes foot

PubMed ID [Source Literature]

12709907

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Coumarin, Prenylated, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

298.157

Molecular Formula

C₁₉H₂₂O₃

SMILES

O1c2c(cc(C/C=C(/CCC=C(C)C)C)c(O)c2)ccc1=O

XLogP

5.348

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) Schinkovitz A, Gibbons S, Stavri M, Cocksedge MJ, Bucar F.Ostruthin: an antimycobacterial coumarin from the Roots of Peucedanum ostruthium. Planta Med. 2003 Apr;69(4):369-7

Curator

Record - 13 of 44 [TOP]

Compound ID

2320

Compound Structure

Plant Source

Peucedanum ostruthium Koch Common Name:Masterwort

Source Family

Apiaceae (Umbelliferae)

Origin

China

Plant Part Used

Root

Extract

Target Bacteria

Mycobacterium smegmatis (ATCC 14468)

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

Ostruthin

PubChem ID

5281420

Ethnomedicinal Information

Has folkloric reputation for the topical treatment of athletes foot

PubMed ID [Source Literature]

12709907

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Coumarin, Prenylated, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

298.157

Molecular Formula

C₁₉H₂₂O₃

SMILES

O1c2c(cc(C/C=C(/CCC=C(C)C)C)c(O)c2)ccc1=O

XLogP

5.348

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) Schinkovitz A, Gibbons S, Stavri M, Cocksedge MJ, Bucar F.Ostruthin: an antimycobacterial coumarin from the Roots of Peucedanum ostruthium. Planta Med. 2003 Apr;69(4):369-7

Curator

Record - 14 of 44 [TOP]

Compound ID

2958

Compound Structure

Plant Source

Haloxylon salicornicum Bunge ex Boiss Common Name:NR

Source Family

Chenopodiaceae

Origin

Pakistan, Egypt, Jordan, Palestine, Iran, Iraq and Kuwait (in unfertile areas)

Plant Part Used

Whole plant

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Micro Broth Dilution Method

Positive Control Used (conc.)

Isoniazid (0.02 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

7,8-Dimthoxy-6-hydroxy cumarine

PubChem ID

11345068

Ethnomedicinal Information

PubMed ID [Source Literature]

20542692

Extract Preparation

Methanol extract further partitioned with water and hexane. The water layer was further extracted with chloroform and subjected to silica gel column chromatography

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Coumarin, Phenol, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9 broth

Cytotoxicity Assay [AID]

Molecular Weight

222.053

Molecular Formula

C₁₁H₁₀O₅

SMILES

O1c2c(cc(O)c(OC)c2OC)ccc1=O

XLogP

1.168

PSA

55.760

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) Bibi N, Tanoli SA, Farheen S, Afza N, Siddiqi S, Zhang Y, Kazmi SU, Malik A.In vitro antituberculosis activities of the constituents isolated from Haloxylon salicornicum.Bioorg Med Chem Lett. 2010 Jul 15;20(14):4173-6

Curator

KeyaMukherjee, vsheeba

Record - 15 of 44 [TOP]

Compound ID

3047

Compound Structure

Plant Source

Peucedanum osthruthin Koch Common Name:

Source Family

Apiaceae (Umbelliferae)

Origin

Plant Part Used

Root

Extract

Dichloromethane

Target Bacteria

Assay / Test Done

Positive Control Used (conc.)

Ethambutol, Isoniazid

Inhibition [%]

Activity [MIC] µg/ml

128 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Umbelliferone

PubChem ID

5281426

Ethnomedicinal Information

PubMed ID [Source Literature]

12709907

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Coumarin, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

162.032

Molecular Formula

C₉H₆O₃

SMILES

O1c2c(ccc(O)c2)ccc1=O

XLogP

2.056

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) Schinkovitz A, Gibbons S, Stavri M, Cocksedge MJ, Bucar F.Ostruthin: an antimycobacterial coumarin from the Roots of Peucedanum ostruthium. Planta Med. 2003 Apr;69(4):369-7

Curator

Vikramjitmandal

Record - 16 of 44 [TOP]

Compound ID

3048

Compound Structure

Plant Source

Peucedanum osthruthin Koch Common Name:

Source Family

Apiaceae (Umbelliferae)

Origin

Plant Part Used

Root

Extract

Dichloromethane

Target Bacteria

Mycobacterium abscessus (ATCC 19 977)

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

Ostruthin

PubChem ID

5281420

Ethnomedicinal Information

PubMed ID [Source Literature]

12709907

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Coumarin, Prenylated, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

298.157

Molecular Formula

C₁₉H₂₂O₃

SMILES

O1c2c(cc(C/C=C(/CCC=C(C)C)C)c(O)c2)ccc1=O

XLogP

5.348

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) Schinkovitz A, Gibbons S, Stavri M, Cocksedge MJ, Bucar F.Ostruthin: an antimycobacterial coumarin from the Roots of Peucedanum ostruthium. Planta Med. 2003 Apr;69(4):369-7

Curator

Record - 17 of 44 [TOP]

Compound ID

3074

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium aurum (Pasteur Institute 104482)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (0.5 µg/ml), Isoniazid (2 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ferulenol

PubChem ID

54679300

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

366.219

Molecular Formula

C₂₄H₃₀O₃

SMILES

O1c2c(c(O)c(C/C=C(/CC/C=C(/CCC=C(C)C)C)C)c1=O)cccc2

XLogP

8.182

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) Appendino G, Mercalli E, Fuzzati N, Arnoldi L, Stavri M, Gibbons S, Ballero M, Maxia A.Antimycobacterial coumarins from the sardinian giant fennel (Ferula communis).J Nat Prod. 2004 Dec;67(12):2108-10

Curator

Vsheeba, vikramjitmandal

Record - 18 of 44 [TOP]

Compound ID

3075

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium fortuitum (ATCC 6841)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (8 µg/ml), Isoniazid (0.5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ferulenol

PubChem ID

54679300

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

366.219

Molecular Formula

C₂₄H₃₀O₃

SMILES

O1c2c(c(O)c(C/C=C(/CC/C=C(/CCC=C(C)C)C)C)c1=O)cccc2

XLogP

8.182

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

Vsheeba, vikramjitmandal

Record - 19 of 44 [TOP]

Compound ID

3076

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium phlei (ATCC 11758)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (2 µg/ml), Isoniazid (4 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ferulenol

PubChem ID

54679300

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

366.219

Molecular Formula

C₂₄H₃₀O₃

SMILES

O1c2c(c(O)c(C/C=C(/CC/C=C(/CCC=C(C)C)C)C)c1=O)cccc2

XLogP

8.182

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

Vsheeba, vikramjitmandal

Record - 20 of 44 [TOP]

Compound ID

3077

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium smegmatis (ATCC 14468)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (0.5 µg/ml), Isoniazid (1 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

0.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ferulenol

PubChem ID

54679300

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

366.219

Molecular Formula

C₂₄H₃₀O₃

SMILES

O1c2c(c(O)c(C/C=C(/CC/C=C(/CCC=C(C)C)C)C)c1=O)cccc2

XLogP

8.182

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

Vsheeba, vikramjitmandal

Record - 21 of 44 [TOP]

Compound ID

3078

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium fortuitum (ATCC 6841)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (8 µg/ml), Isoniazid (0.5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

16 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

E - ω - Benzoyloxyferulenol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol, Benzoyl

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

486.241

Molecular Formula

C₃₁H₃₄O₅

SMILES

C1ccc2c(c1)c(c(c(=O)o2)C/C=C(/CC/C=C(/CC/C=C(/COC(=O)c1ccccc1)C)C)C)O

XLogP

8.550

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)

Curator

Vikramjitmandal

Record - 22 of 44 [TOP]

Compound ID

3079

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium phlei (ATCC 11758)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (2 µg/ml), Isoniazid (4 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

E - ω - Benzoyloxyferulenol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol, Benzoyl

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

486.241

Molecular Formula

C₃₁H₃₄O₅

SMILES

C1ccc2c(c1)c(c(c(=O)o2)C/C=C(/CC/C=C(/CC/C=C(/COC(=O)c1ccccc1)C)C)C)O

XLogP

8.550

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)

Curator

Vikramjitmandal

Record - 23 of 44 [TOP]

Compound ID

3080

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium aurum (Pasteur Institute 104482)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (0.5 µg/ml), Isoniazid (2 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

8 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

E - ω - Benzoyloxyferulenol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol, Benzoyl

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

486.241

Molecular Formula

C₃₁H₃₄O₅

SMILES

C1ccc2c(c1)c(c(c(=O)o2)C/C=C(/CC/C=C(/CC/C=C(/COC(=O)c1ccccc1)C)C)C)O

XLogP

8.550

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)

Curator

Vikramjitmandal

Record - 24 of 44 [TOP]

Compound ID

3081

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium smegmatis (ATCC 144680)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (0.5 µg/ml), Isoniazid (1 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

E - ω - Benzoyloxyferulenol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol, Benzoyl

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

486.241

Molecular Formula

C₃₁H₃₄O₅

SMILES

C1ccc2c(c1)c(c(c(=O)o2)C/C=C(/CC/C=C(/CC/C=C(/COC(=O)c1ccccc1)C)C)C)O

XLogP

8.550

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)

Curator

Vikramjitmandal

Record - 25 of 44 [TOP]

Compound ID

3082

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium fortuitum (ATCC 6841)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (8 µg/ml), Isoniazid (0.5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

64 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

E - ω - Hydroxyferulenol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

382.214

Molecular Formula

C₂₄H₃₀O₄

SMILES

C1ccc2c(c1)c(c(c(=O)o2)C/C=C(/CC/C=C(/CC/C=C(/CO)C)C)C)O

XLogP

5.064

PSA

57.530

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Vikramjitmandal

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