BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 1 Record - 1 of 20 [TOP]

Compound ID

1413

Compound Structure

Plant Source

Cephaelis dichroa Common Name:

Source Family

Rubiaceae

Origin

Mexico

Plant Part Used

Aerial

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.06 µg/ml), Ethambutol (2 µg/ml), Rifampin (0.06 µg/ml), Streptomycin (0.50 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

Peracetyl - Strictosidine Lactam

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Pentacyclic, Alkaloid, Carbazole, Pyran, Isoquinoline, O-Acetyl, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

650.284

Molecular Formula

C₃₅H₄₂N₂O₁₀

SMILES

C1cccc2c1c1c([nH]2)C2N(CC1)CC1=COC(C(C1C2)C=C)OC1O[C@H]([C@@H]([C@H]([C@@H]1OC(=O)C)CC(=O)C)OC(=O)C)COC(=O)C

XLogP

3.192

PSA

142.690

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) María del Rayo Camacho-Corona, Juan Manuel de Jesús Favela-Hernández, Omar González-Santiago, Elvira Garza-González, Gloria María Molina-Salinas, Salvador Said-Fernández, Guillermo Delgado, Julieta Luna-Herrerae.Evaluation of Some Plant-derived Secondary Metabolites Against Sensitive and Multidrug-resistant Mycobacterium tuberculosis.J. Mex. Chem. Soc. 2009, 53(2), 71-75

Curator

Record - 2 of 20 [TOP]

Compound ID

1415

Compound Structure

Plant Source

Cephaelis dichroa Common Name:

Source Family

Rubiaceae

Origin

Mexico

Plant Part Used

Aerial

Extract

Target Bacteria

Mycobacterium tuberculosis (345)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (3.125 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Peracetyl - Strictosidine Lactam

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Pentacyclic, Alkaloid, Carbazole, Pyran, Isoquinoline, O-Acetyl, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

650.284

Molecular Formula

C₃₅H₄₂N₂O₁₀

SMILES

C1cccc2c1c1c([nH]2)C2N(CC1)CC1=COC(C(C1C2)C=C)OC1O[C@H]([C@@H]([C@H]([C@@H]1OC(=O)C)CC(=O)C)OC(=O)C)COC(=O)C

XLogP

3.192

PSA

142.690

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 20 [TOP]

Compound ID

1417

Compound Structure

Plant Source

Cephaelis dichroa Common Name:

Source Family

Rubiaceae

Origin

Mexico

Plant Part Used

Aerial

Extract

Target Bacteria

Mycobacterium tuberculosis (M12)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (12.50 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Peracetyl - strictosidine lactam

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Pentacyclic, Alkaloid, Carbazole, Pyran, Isoquinoline, O-Acetyl, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

650.284

Molecular Formula

C₃₅H₄₂N₂O₁₀

SMILES

C1cccc2c1c1c([nH]2)C2N(CC1)CC1=COC(C(C1C2)C=C)OC1O[C@H]([C@@H]([C@H]([C@@H]1OC(=O)C)CC(=O)C)OC(=O)C)COC(=O)C

XLogP

3.192

PSA

142.690

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 20 [TOP]

Compound ID

1419

Compound Structure

Plant Source

Cephaelis dichroa Common Name:

Source Family

Rubiaceae

Origin

Mexico

Plant Part Used

Aerial

Extract

Target Bacteria

Mycobacterium tuberculosis (M20)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Streptomycin (25 µg/ml), Isoniazid (< 50 µg/ml), Ethambutol (12.50 µg/ml), Rifampin (< 50 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

> 200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Peracetyl - Strictosidine Lactam

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Pentacyclic, Alkaloid, Carbazole, Pyran, Isoquinoline, O-Acetyl, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

650.284

Molecular Formula

C₃₅H₄₂N₂O₁₀

SMILES

C1cccc2c1c1c([nH]2)C2N(CC1)CC1=COC(C(C1C2)C=C)OC1O[C@H]([C@@H]([C@H]([C@@H]1OC(=O)C)CC(=O)C)OC(=O)C)COC(=O)C

XLogP

3.192

PSA

142.690

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 20 [TOP]

Compound ID

1477

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

3 - Formylcarbazole

PubChem ID

20746

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, Carbazole, Alkaloid

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

181.089

Molecular Formula

C₁₃H₁₁N

SMILES

[nH]1c2c(c3c1cccc3)cc(cc2)C

XLogP

4.401

PSA

15.790

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 - 6 of 20 [TOP]

Compound ID

1479

Compound Structure

Plant Source

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

Source Family

Rutaceae

Origin

India

Plant Part Used

Rhizome

Extract

Hexane

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

3 - Methoxycarbonylcarbazole

PubChem ID

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, Alkaloid, Carbazole, Ester

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

225.079

Molecular Formula

C₁₄H₁₁NO₂

SMILES

[nH]1c2c(c3c1ccc(c3)C(=O)OC)cccc2

XLogP

3.425

PSA

42.090

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 20 [TOP]

Compound ID

1480

Compound Structure

Plant Source

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

Source Family

Rutaceae

Origin

India

Plant Part Used

Rhizome

Extract

Hexane

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

2 - Hydroxy - 3 - Formyl - 7 - Methoxycarbazole

PubChem ID

189687

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, Alkaloid, Carbazole, Aldehyde, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

241.074

Molecular Formula

C₁₄H₁₁NO₃

SMILES

O(c1cc2[nH]c3c(c2cc1)cc(c(O)c3)C=O)C

XLogP

2.329

PSA

62.320

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 20 [TOP]

Compound ID

1481

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

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Clauszoline J

PubChem ID

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, Alkaloid, Carbazole, Ether, Acid

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

271.084

Molecular Formula

C₁₅H₁₃NO₄

SMILES

[nH]1c2c(cc(c(c2)OC)C(=O)O)c2c1cc(cc2)OC

XLogP

2.559

PSA

71.550

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 20 [TOP]

Compound ID

3671

Compound Structure

Plant Source

Micromelum hirsutum Common Name:

Source Family

Rutaceae

Origin

Plant Part Used

Stem bark

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Fluorometric Alamar Blue Microassay (FMABA)

Positive Control Used (conc.)

Rifampin (0.040 ± 0.017 µg/ml)

Inhibition [%]

> 90 %

Activity [MIC] µg/ml

31.5 ± 0.2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Micromeline

PubChem ID

5278450

Ethnomedicinal Information

PubMed ID [Source Literature]

15770548

Extract Preparation

The dried, milled stem bark of Micromelum hirsutum was extracted with CH₂Cl₂ to yield 45.5 g extract, of which 32.1 g were chromatographed by vacuum liquid chromatography over a silica gel column

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Alkaloid, Carbazole, Prenylated, Aldehyde, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against Vero cells (ATCCCCL- 81) in the CellTiter 96 aqueous nonradioactive cell proliferation assay

Molecular Weight

279.126

Molecular Formula

C₁₈H₁₇NO₂

SMILES

Oc1c(c2c3c([nH]c2cc1)ccc(c3)C=O)CC=C(C)C

XLogP

3.814

PSA

53.090

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) Ma C, Case RJ, Wang Y, Zhang HJ, Tan GT, Van Hung N, Cuong NM, Franzblau SG, Soejarto DD, Fong HH, Pauli GF.Anti-tuberculosis constituents from the stem bark of Micromelum hirsutum.Planta Med. 2005 Mar;71(3):261-7

Curator

Vikramjitmandal

Record - 10 of 20 [TOP]

Compound ID

3672

Compound Structure

Plant Source

Micromelum hirsutum Common Name:

Source Family

Rutaceae

Origin

Plant Part Used

Stem bark

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Fluorometric Alamar Blue Microassay (FMABA)

Positive Control Used (conc.)

Rifampin (0.040 ± 0.017 µg/ml)

Inhibition [%]

> 90 %

Activity [MIC] µg/ml

14.3 ± 0.9 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Lansine

PubChem ID

5317755

Ethnomedicinal Information

PubMed ID [Source Literature]

15770548

Extract Preparation

The dried, milled stem bark of Micromelum hirsutum was extracted with CH₂Cl₂ to yield 45.5 g extract, of which 32.1 g were chromatographed by vacuum liquid chromatography over a silica gel column

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Alkaloid, Carbazole, Aldehyde, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against Vero cells (ATCCCCL- 81) in the CellTiter 96 aqueous nonradioactive cell proliferation assay

Molecular Weight

255.090

Molecular Formula

C₁₅H₁₃NO₃

SMILES

O(c1cc2[nH]c3c(c2cc1C=O)ccc(OC)c3)C

XLogP

2.419

PSA

51.320

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 - 11 of 20 [TOP]

Compound ID

3673

Compound Structure

Plant Source

Micromelum hirsutum Common Name:

Source Family

Rutaceae

Origin

Plant Part Used

Stem bark

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Fluorometric Alamar Blue Microassay (FMABA)

Positive Control Used (conc.)

Rifampin (0.040 ± 0.017 µg/ml)

Inhibition [%]

> 90 %

Activity [MIC] µg/ml

> 128 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

3 - Methylcarbazole

PubChem ID

20746

Ethnomedicinal Information

PubMed ID [Source Literature]

15770548

Extract Preparation

The dried, milled stem bark of Micromelum hirsutum was extracted with CH₂Cl₂ to yield 45.5 g extract, of which 32.1 g were chromatographed by vacuum liquid chromatography over a silica gel column

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Carbazole, Alkaloid

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against Vero cells (ATCCCCL- 81) in the CellTiter 96 aqueous nonradioactive cell proliferation assay

Molecular Weight

181.089

Molecular Formula

C₁₃H₁₁N

SMILES

[nH]1c2c(c3c1cccc3)cc(cc2)C

XLogP

4.401

PSA

15.790

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 - 12 of 20 [TOP]

Compound ID

3674

Compound Structure

Plant Source

Micromelum hirsutum Common Name:

Source Family

Rutaceae

Origin

Plant Part Used

Stem bark

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Fluorometric Alamar Blue Microassay (FMABA)

Positive Control Used (conc.)

Rifampin (0.040 ± 0.017 µg/ml)

Inhibition [%]

> 90 %

Activity [MIC] µg/ml

> 128 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Methyl Carbazole - 3 - Carboxylate

PubChem ID

504069

Ethnomedicinal Information

PubMed ID [Source Literature]

15770548

Extract Preparation

The dried, milled stem bark of Micromelum hirsutum was extracted with CH₂Cl₂ to yield 45.5 g extract, of which 32.1 g were chromatographed by vacuum liquid chromatography over a silica gel column

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Alkaloid, Carbazole, Ester

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against Vero cells (ATCCCCL- 81) in the CellTiter 96 aqueous nonradioactive cell proliferation assay

Molecular Weight

225.079

Molecular Formula

C₁₄H₁₁NO₂

SMILES

O(C(=O)c1cc2c3c([nH]c2cc1)cccc3)C

XLogP

3.425

PSA

42.090

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 - 13 of 20 [TOP]

Compound ID

3675

Compound Structure

Plant Source

Micromelum hirsutum Common Name:

Source Family

Rutaceae

Origin

Plant Part Used

Stem bark

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Fluorometric Alamar Blue Microassay (FMABA)

Positive Control Used (conc.)

Rifampin (0.040 ± 0.017 µg/ml)

Inhibition [%]

> 90 %

Activity [MIC] µg/ml

42.3 ± 0.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

3 - Formylcarbazole

PubChem ID

20746

Ethnomedicinal Information

PubMed ID [Source Literature]

15770548

Extract Preparation

The dried, milled stem bark of Micromelum hirsutum was extracted with CH₂Cl₂ to yield 45.5 g extract, of which 32.1 g were chromatographed by vacuum liquid chromatography over a silica gel column

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Carbazole, Alkaloid

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against Vero cells (ATCCCCL- 81) in the CellTiter 96 aqueous nonradioactive cell proliferation assay

Molecular Weight

181.089

Molecular Formula

C₁₃H₁₁N

SMILES

[nH]1c2c(c3c1cccc3)cc(cc2)C

XLogP

4.401

PSA

15.790

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 - 14 of 20 [TOP]

Compound ID

3676

Compound Structure

Plant Source

Micromelum hirsutum Common Name:

Source Family

Rutaceae

Origin

Plant Part Used

Stem bark

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Fluorometric Alamar Blue Microassay (FMABA)

Positive Control Used (conc.)

Rifampin (0.040 ± 0.017 µg/ml)

Inhibition [%]

> 90 %

Activity [MIC] µg/ml

15.6 ± 0.2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

3 - Formyl - 6 - Methoxycarbazole

PubChem ID

5278452

Ethnomedicinal Information

PubMed ID [Source Literature]

15770548

Extract Preparation

The dried, milled stem bark of Micromelum hirsutum was extracted with CH₂Cl₂ to yield 45.5 g extract, of which 32.1 g were chromatographed by vacuum liquid chromatography over a silica gel column

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Carbazole, Alkaloid, Aldehyde, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against Vero cells (ATCCCCL- 81) in the CellTiter 96 aqueous nonradioactive cell proliferation assay

Molecular Weight

225.079

Molecular Formula

C₁₄H₁₁NO₂

SMILES

O(c1cc2c3c([nH]c2cc1)ccc(c3)C=O)C

XLogP

2.863

PSA

42.090

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 - 15 of 20 [TOP]

Compound ID

3975

Compound Structure

Plant Source

Allium neapolitanum Common Name:

Source Family

Amaryllidaceae

Origin

Lincolnshire, UK

Plant Part Used

Bulb

Extract

Chloroform

Target Bacteria

Mycobacterium abcessus (ATCC 19977)

Assay / Test Done

Columbia Blood Agar

Positive Control Used (conc.)

Ethambutol (128 µg/ml), Isoniazid (128 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

16 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Canthin-6-one

PubChem ID

97176

Ethnomedicinal Information

PubMed ID [Source Literature]

17421058

Extract Preparation

6.3 kg of macerated bulb material underwent cold extraction with hexane, chloroform and methanol (3 l)

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Carbazole, Quinoline, Amide

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

220.064

Molecular Formula

C₁₄H₈N₂O

SMILES

O=c1n2c3c(c4c2cccc4)ccnc3cc1

XLogP

2.809

PSA

34.890

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) O'Donnell G, Gibbons S.Antibacterial activity of two canthin-6-one alkaloids from Allium neapolitanum.Phytother Res. 2007 Jul;21(7):653-7

Curator

Record - 16 of 20 [TOP]

Compound ID

3974

Compound Structure

Plant Source

Allium neapolitanum Common Name:

Source Family

Amaryllidaceae

Origin

Lincolnshire, UK

Plant Part Used

Bulb

Extract

Chloroform

Target Bacteria

Mycobacterium fortuitum (ATCC 6841)

Assay / Test Done

Columbia Blood Agar

Positive Control Used (conc.)

Ethambutol (4 µg/ml), Isoniazid (0.25 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

16 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Canthin-6-one

PubChem ID

97176

Ethnomedicinal Information

PubMed ID [Source Literature]

17421058

Extract Preparation

6.3 kg of macerated bulb material underwent cold extraction with hexane, chloroform and methanol (3 l)

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Carbazole, Quinoline, Amide

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

220.064

Molecular Formula

C₁₄H₈N₂O

SMILES

O=c1n2c3c(c4c2cccc4)ccnc3cc1

XLogP

2.809

PSA

34.890

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) O'Donnell G, Gibbons S.Antibacterial activity of two canthin-6-one alkaloids from Allium neapolitanum.Phytother Res. 2007 Jul;21(7):653-7

Curator

Record - 17 of 20 [TOP]

Compound ID

3796

Compound Structure

Plant Source

Allium neapolitanum Common Name:NR

Source Family

Amaryllidaceae

Origin

Lincolnshire, UK

Plant Part Used

Bulb

Extract

Chloroform

Target Bacteria

Mycobacterium phlei (ATCC 11758)

Assay / Test Done

Columbia Blood Agar

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

Canthin-6-one

PubChem ID

97176

Ethnomedicinal Information

PubMed ID [Source Literature]

17421058

Extract Preparation

6.3 kg of macerated bulb material underwent cold extraction with hexane, chloroform and methanol (3 l)

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Carbazole, Quinoline, Amide

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

220.064

Molecular Formula

C₁₄H₈N₂O

SMILES

O=c1n2c3c(c4c2cccc4)ccnc3cc1

XLogP

2.809

PSA

34.890

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) O'Donnell G, Gibbons S.Antibacterial activity of two canthin-6-one alkaloids from Allium neapolitanum.Phytother Res. 2007 Jul;21(7):653-7

Curator

Najiya-beegum, vikramjitmandal

Record - 18 of 20 [TOP]

Compound ID

3797

Compound Structure

Plant Source

Allium neapolitanum Common Name:NR

Source Family

Amaryllidaceae

Origin

Lincolnshire, UK

Plant Part Used

Bulb

Extract

Chloroform

Target Bacteria

Mycobacterium smegmatis (mc² 2700)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (0.25 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

8 - Hydroxy Canthin - 6 - One

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

17421058

Extract Preparation

6.3 kg of macerated bulb material underwent cold extraction with hexane, chloroform and methanol (3 l)

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Carbazole, Quinoline, Amide, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

235.063

Molecular Formula

C₁₅H₉NO₂

SMILES

C1ccc(c2c1c1c3n2c(=O)ccc3ccc1)O

XLogP

2.854

PSA

42.230

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) O'Donnell G, Gibbons S.Antibacterial activity of two canthin-6-one alkaloids from Allium neapolitanum.Phytother Res. 2007 Jul;21(7):653-7

Curator

Najiya-beegum, vikramjitmandal

Record - 19 of 20 [TOP]

Compound ID

3799

Compound Structure

Plant Source

Allium neapolitanum Common Name:NR

Source Family

Amaryllidaceae

Origin

Lincolnshire, UK

Plant Part Used

Bulb

Extract

Chloroform

Target Bacteria

Mycobacterium smegmatis (ATCC 14468)

Assay / Test Done

Columbia Blood Agar

Positive Control Used (conc.)

Ethambutol (0.25 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

Canthin-6-one

PubChem ID

97176

Ethnomedicinal Information

PubMed ID [Source Literature]

17421058

Extract Preparation

6.3 kg of macerated bulb material underwent cold extraction with hexane, chloroform and methanol (3 l)

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Carbazole, Quinoline, Amide

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

220.064

Molecular Formula

C₁₄H₈N₂O

SMILES

O=c1n2c3c(c4c2cccc4)ccnc3cc1

XLogP

2.809

PSA

34.890

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) O'Donnell G, Gibbons S.Antibacterial activity of two canthin-6-one alkaloids from Allium neapolitanum.Phytother Res. 2007 Jul;21(7):653-7

Curator

Najiya-beegum, vikramjitmandal

Record - 20 of 20 [TOP]

Compound ID

3800

Compound Structure

Plant Source

Allium neapolitanum Common Name:NR

Source Family

Amaryllidaceae

Origin

Lincolnshire, UK

Plant Part Used

Bulb

Extract

Chloroform

Target Bacteria

Mycobacterium smegmatis (mc² 2700)

Assay / Test Done

Columbia Blood Agar

Positive Control Used (conc.)

Ethambutol (0.25 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

Canthin-6-one

PubChem ID

97176

Ethnomedicinal Information

PubMed ID [Source Literature]

17421058

Extract Preparation

6.3 kg of macerated bulb material underwent cold extraction with hexane, chloroform and methanol (3 l)

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Carbazole, Quinoline, Amide

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

220.064

Molecular Formula

C₁₄H₈N₂O

SMILES

O=c1n2c3c(c4c2cccc4)ccnc3cc1

XLogP

2.809

PSA

34.890

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) O'Donnell G, Gibbons S.Antibacterial activity of two canthin-6-one alkaloids from Allium neapolitanum.Phytother Res. 2007 Jul;21(7):653-7

Curator

Najiya-beegum, vikramjitmandal

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