BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 13 Record - 1 of 324 [TOP]

Compound ID	1644
Compound Structure
Plant Source	Eriocaulon ligulatum Common Name:
Source Family	Eriocaulaceae
Origin	Brazil
Plant Part Used	Scape
Extract	Methanol
Target Bacteria	Mycobacterium tuberculosis H37Rv (ATCC 27 294)
Assay / Test Done	Microplate Alamar Blue Assay (MABA)
Positive Control Used (conc.)	Isoniazid (0.015 - 0.05 µg/ml)
Inhibition [%]	90 %
Activity [MIC] µg/ml	4000 µg/ml
Activity (In terms of dilution)	1:25 dilution
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation	N/A
Chemical Classification [Active Compound]	N/A
Media / Broth Used [Antimicrobial Assay/Test]	N/A
Cytotoxicity Assay [AID]	N/A
Reference(s)	1) Pavan FR, Sato DN, Higuchi CT, Santos ACB, Vilegas W, Leite CQE 2009. In vitro anti-Mycobacterium tuberculosis activity of some Brazilian "Cerrado" plants. Rev Bras Farmacogn 19: 204-206
Curator

Record - 2 of 324 [TOP]

Compound ID

2881

Compound Structure

Plant Source

Aristolochia taliscana Hook. Common Name:Dutchman's Pipes

Source Family

Aristolochiaceae

Origin

Mexico

Plant Part Used

Root

Extract

N - hexane

Target Bacteria

Mycobacterium tuberculosis (clinical isolate MTY172)

Assay / Test Done

Positive Control Used (conc.)

Streptomycin (0.5 µg/ml), Isoniazid (0.06 µg/ml), Rifampin (0.1 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Licarin B

PubChem ID

5384942

Ethnomedicinal Information

PubMed ID [Source Literature]

20209328

Extract Preparation

Powdered air - dried roots (1.5 kg) were macerated (3 × 48 h) with 12 l of n - Hexane. The extract was filtered and evaporated in vacuo to yield 33 g of the crude extract

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Benzofuranoid, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

324.136

Molecular Formula

C₂₀H₂₀O₄

SMILES

O1C([C@H](c2c1c(OC)cc(c2)/C=C/C)C)c1cc2OCOc2cc1

XLogP

4.809

PSA

36.920

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) León-Díaz R, Meckes M, Said-Fernández S, Molina-Salinas GM, Vargas-Villarreal J, Torres J, Luna-Herrera J, Jiménez-Arellanes A.Antimycobacterial neolignans isolated from Aristolochia taliscana.Mem Inst Oswaldo Cruz. 2010 Feb;105(1):45-51

Curator

Record - 3 of 324 [TOP]

Compound ID	3596
Compound Structure
Plant Source	Nectandra hihua (R. & P.) Rowher Common Name:
Source Family	Lauraceae
Origin	Peru
Plant Part Used	Bark
Extract	Dichloromethane
Target Bacteria	Mycobacterium tuberculosis H37Rv (ATCC 27294)
Assay / Test Done	Radiometric assay using BACTEC 460 system
Positive Control Used (conc.)	Rifampin (2 µg/ml), Ethambutol (7.5 µg/ml)
Inhibition [%]
Activity [MIC] µg/ml	10 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information
PubMed ID [Source Literature]	13678239
Extract Preparation
Chemical Classification [Active Compound]
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Reference(s)	1) Graham JG, Pendland SL, Prause JL, Danzinger LH, Schunke Vigo J, Cabieses F, Farnsworth NR.Antimycobacterial evaluation of Peruvian plants.Phytomedicine. 2003;10(6-7):528-35
Curator	Rachana, vikramjitmandal

Record - 4 of 324 [TOP]

Compound ID

3359

Compound Structure

Plant Source

Borrichia frutescens Common Name:Sea Daisy

Source Family

Asteraceae (Compositae)

Origin

Southeastern United States

Plant Part Used

Flower

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Radiorespirometric Bioassay

Positive Control Used (conc.)

Fusidic acid (4 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

8 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

(3-αH, 24R) - 24, 25 - Epoxycycloartan - 3 - Ol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

8988597

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Steroid, Epoxide

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against Vero cells

Molecular Weight

442.381

Molecular Formula

C₃₀H₅₀O₂

SMILES

C1C[C@H](C(C2[C@]31[C@]1(C(CC2)[C@]2([C@](CC1)([C@H](CC2)[C@@H](CC[C@@H]1C(C)(C)O1)C)C)C)C3)(C)C)O

XLogP

10.590

PSA

32.760

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) Cantrell CL, Lu T, Fronczek FR, Fischer NH, Adams LB, Franzblau SG.Antimycobacterial cycloartanes from Borrichia frutescens.J Nat Prod. 1996 Dec;59(12):1131-6

Curator

Record - 5 of 324 [TOP]

Compound ID

3973

Compound Structure

Plant Source

Rudbeckia laciniata Common Name:Thimbleweed

Source Family

Asteraceae (Compositae)

Origin

Eastern North America

Plant Part Used

Extract

Target Bacteria

Mycobacterium avium

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

2,10-bisaboladiene- 1,4-endoperoxide

PubChem ID

10082849

Ethnomedicinal Information

PubMed ID [Source Literature]

16243360

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Terpene, Sesquiterpene, Peroxy, Prenylated

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

236.178

Molecular Formula

C₁₅H₂₄O₂

SMILES

O1O[C@@H]2C[C@@H](C(CCC=C(C)C)C)[C@@H]1C=C2C

XLogP

4.400

PSA

18.460

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)

1) Pauli GF, Case RJ, Inui T, Wang Y, Cho S, Fischer NH, Franzblau SG.New perspectives on natural products in TB drug research.Life Sci. 2005 Dec 22;78(5):485-94

Curator

Record - 6 of 324 [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 - 7 of 324 [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 - 8 of 324 [TOP]

Compound ID

3053

Compound Structure

Plant Source

Ajuga remota Benth. Common Name:NR

Source Family

Lamiaceae

Origin

Plant Part Used

Aerial

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Radiorespirometric Bioassay

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

8 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ergosterol - 5, 8 - Endoperoxide Acetate

PubChem ID

6476655

Ethnomedicinal Information

PubMed ID [Source Literature]

10630115

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Peroxy, O-Acetyl

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

470.340

Molecular Formula

C₃₀H₄₆O₄

SMILES

O1O[C@]23[C@@]([C@@H]4[C@@]1([C@H]1[C@@]([C@H](CC1)[C@H](C)/C=C/[C@@H](C(C)C)C)(CC4)C)C=C2)(CC[C@H](OC(=O)C)C3)C

XLogP

9.123

PSA

44.760

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) Cantrell CL, Rajab MS, Franzblau SG, Fronczek FR, Fischer NH.Antimycobacterial ergosterol-5,8-endoperoxide from Ajuga remota.Planta Med. 1999 Dec;65(8):732-4

Curator

Record - 9 of 324 [TOP]

Compound ID

3054

Compound Structure

Plant Source

Ajuga remota Benth. Common Name:NR

Source Family

Lamiaceae

Origin

Plant Part Used

Aerial

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

> 128 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ergosterol

PubChem ID

444679

Ethnomedicinal Information

PubMed ID [Source Literature]

10630115

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

396.339

Molecular Formula

C₂₈H₄₄O

SMILES

O[C@@H]1CC2=CC=C3[C@H]4[C@@]([C@H](CC4)[C@H](C)/C=C/[C@@H](C(C)C)C)(CC[C@@H]3[C@]2(CC1)C)C

XLogP

9.499

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) Cantrell CL, Rajab MS, Franzblau SG, Fronczek FR, Fischer NH.Antimycobacterial ergosterol-5,8-endoperoxide from Ajuga remota.Planta Med. 1999 Dec;65(8):732-4

Curator

Record - 10 of 324 [TOP]

Compound ID

3055

Compound Structure

Plant Source

Ajuga remota Benth. Common Name:NR

Source Family

Lamiaceae

Origin

Plant Part Used

Aerial

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Radiorespirometric Bioassay

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

128 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ergosta - 5, 7, 9 (11), 22 - Tetraen - 3β - Ol

PubChem ID

6436660

Ethnomedicinal Information

PubMed ID [Source Literature]

10630115

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

394.324

Molecular Formula

C₂₈H₄₂O

SMILES

O[C@@H]1CC2=CC=C3[C@H]4[C@@]([C@H](CC4)[C@H](C)/C=C/[C@@H](C(C)C)C)(CC=C3[C@]2(CC1)C)C

XLogP

9.787

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) Cantrell CL, Rajab MS, Franzblau SG, Fronczek FR, Fischer NH.Antimycobacterial ergosterol-5,8-endoperoxide from Ajuga remota.Planta Med. 1999 Dec;65(8):732-4

Curator

Record - 11 of 324 [TOP]

Compound ID

3056

Compound Structure

Plant Source

Ajuga remota Benth. Common Name:NR

Source Family

Lamiaceae

Origin

Plant Part Used

Aerial

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Radiorespirometric Bioassay

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

> 128 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Clerodin

PubChem ID

124059

Ethnomedicinal Information

PubMed ID [Source Literature]

10630115

Extract Preparation

Chemical Classification [Active Compound]

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

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

434.230

Molecular Formula

C₂₄H₃₄O₇

SMILES

O1[C@]2([C@]3([C@@H]([C@]([C@@H](C[C@@H]3OC(=O)C)C)([C@H]3OC4OC=CC4C3)C)CCC2)COC(=O)C)C1

XLogP

3.678

PSA

83.590

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) Cantrell CL, Rajab MS, Franzblau SG, Fronczek FR, Fischer NH.Antimycobacterial ergosterol-5,8-endoperoxide from Ajuga remota.Planta Med. 1999 Dec;65(8):732-4

Curator

Record - 12 of 324 [TOP]

Compound ID

3057

Compound Structure

Plant Source

Ajuga remota Benth. Common Name:NR

Source Family

Lamiaceae

Origin

Plant Part Used

Aerial

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Radiorespirometric Bioassay

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

> 128 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ajugarin - I

PubChem ID

173866

Ethnomedicinal Information

PubMed ID [Source Literature]

10630115

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Diterpene, Acetyl, Lactone, Epoxide

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

434.230

Molecular Formula

C₂₄H₃₄O₇

SMILES

O1[C@]2([C@]3([C@@H]([C@]([C@@H](C[C@@H]3OC(=O)C)C)(CCC3=CC(=O)OC3)C)CCC2)COC(=O)C)C1

XLogP

3.862

PSA

91.430

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) Cantrell CL, Rajab MS, Franzblau SG, Fronczek FR, Fischer NH.Antimycobacterial ergosterol-5,8-endoperoxide from Ajuga remota.Planta Med. 1999 Dec;65(8):732-4

Curator

Record - 13 of 324 [TOP]

Compound ID

3058

Compound Structure

Plant Source

Ajuga remota Benth. Common Name:NR

Source Family

Lamiaceae

Origin

Plant Part Used

Aerial

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Radiorespirometric Bioassay

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

> 128 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ajugarin - II

PubChem ID

3085250

Ethnomedicinal Information

PubMed ID [Source Literature]

10630115

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Diterpene, O-Acetyl, Lactone, Epoxy, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

392.220

Molecular Formula

C₂₂H₃₂O₆

SMILES

O1[C@]2([C@]3([C@@H]([C@]([C@@H](C[C@@H]3O)C)(CCC3=CC(=O)OC3)C)CCC2)COC(=O)C)C1

XLogP

3.122

PSA

85.360

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) Cantrell CL, Rajab MS, Franzblau SG, Fronczek FR, Fischer NH.Antimycobacterial ergosterol-5,8-endoperoxide from Ajuga remota.Planta Med. 1999 Dec;65(8):732-4

Curator

Record - 14 of 324 [TOP]

Compound ID

3073

Compound Structure

Plant Source

Costus Common Name:NR

Source Family

Costaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium avium

Assay / Test Done

Radiorespirometric Bioassay

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

128 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Pumilin

PubChem ID

6436294

Ethnomedicinal Information

PubMed ID [Source Literature]

9784148

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Sesquiterpene, Lactone , Acyl, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

374.137

Molecular Formula

C₂₀H₂₂O₇

SMILES

O1[C@H]2[C@@H]([C@@H](O)[C@H](OC(=O)/C(=CC)/C)C(=C3[C@]2(O)C(=CC3=O)C)C)C(=C)C1=O

XLogP

-0.432

PSA

110.130

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) Cantrell CL, Nuñez IS, Castañeda-Acosta J, Foroozesh M, Fronczek FR, Fischer NH, Franzblau SG.Antimycobacterial activities of dehydrocostus lactone and its oxidation products.J Nat Prod. 1998 Oct;61(10):1181-6

Curator

Record - 15 of 324 [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 - 16 of 324 [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 - 17 of 324 [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 - 18 of 324 [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 - 19 of 324 [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 - 20 of 324 [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 - 21 of 324 [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 - 22 of 324 [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 - 23 of 324 [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

Record - 24 of 324 [TOP]

Compound ID

3083

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

16 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

Record - 25 of 324 [TOP]

Compound ID

3084

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

32 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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