BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 9 Record - 1 of 204 [TOP]

Compound ID

1005

Compound Structure

Plant Source

Abrus precatorius L. Common Name:Indian wild liquorice, Jequirity, Crab's Eye (English), Gunja, Gunjaka (Sanskrit)

Source Family

Fabaceae

Origin

India, Puerto Rico, Nigeria

Plant Part Used

Aerial

Extract

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Abruquinone B

PubChem ID

44257521

Ethnomedicinal Information

Tuberculous glands, asthma, pain in chest, cough, bronchitis, folklore medicine of Puerto Rico

PubMed ID [Source Literature]

15114511

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Benzopyran, Quinone, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

390.131

Molecular Formula

C₂₀H₂₂O₈

SMILES

O1CC(Cc2c1c(OC)c(OC)c(OC)c2)C1=CC(=O)C(=C(OC)C1=O)OC

XLogP

0.780

PSA

89.520

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) Limmatvapirat C, Sirisopanaporn S, Kittakoop P.Antitubercular and antiplasmodial constituents of Abrus precatorius.Planta Med. 2004 Mar;70(3):276-8

2) Indian Medicinal Plants: An Illustrated Dictionary By C.P. Khare

Curator

Record - 2 of 204 [TOP]

Compound ID	1031
Compound Structure
Plant Source	Achillea biebersteinii Afan Common Name:Yarrow
Source Family	Asteraceae (Compositae)
Origin	Turkey
Plant Part Used	Aerial
Extract	Ethanol (70 %)
Target Bacteria	Mycobacterium tuberculosis H37Ra
Assay / Test Done	Microplate Alamar Blue Assay (MABA)
Positive Control Used (conc.)	Rifampin (0.0047 – 0.0095 µg/ml), Isoniazid (0.05 – 0.1 µg/ml), Kanamycin (2.5 – 5.0 µg/ml)
Inhibition [%]
Activity [MIC] µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified	N/A
PubChem ID	NR
Ethnomedicinal Information	Used for diarrhea, abdominal pain, stomach ache and healing of wounds in folk medicine
PubMed ID [Source Literature]	15507348
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) Tosun F, Kizilay CA, Sener B, Vural M, Palittapongarnpim P.Antimycobacterial screening of some Turkish plants.J Ethnopharmacol. 2004 Dec;95(2-3):273-5 2) Akkol EK, Koca U, Pesin I, Yilmazer D.Evaluation of the Wound Healing Potential of Achillea biebersteinii Afan. (Asteraceae) by In Vivo Excision and Incision Models.Evid Based Complement Alternat Med. 2011;2011:474026
Curator

Record - 3 of 204 [TOP]

Compound ID	1032
Compound Structure
Plant Source	Achillea millefolium L. Common Name:Yarrow (English), Brinjasipha (Sanskrit)
Source Family	Asteraceae (Compositae)
Origin	Mexico, India
Plant Part Used	Aerial
Extract	Hexane, methanol
Target Bacteria
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml	> 200 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified	N/A
PubChem ID	NR
Ethnomedicinal Information	Cough, tuberculosis, colds, flu, fever, astringent
PubMed ID [Source Literature]	13680821
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) Jimenez-Arellanes A, Meckes M, Ramirez R, Torres J, Luna-Herrera J. Activity against multidrug-resistant Mycobacterium tuberculosis in Mexican plants used to treat respiratory diseases. Phytother Res. 2003 Sep;17(8):903-8 2) http://plants.usda.gov/java/profile?symbol=ACMI2
Curator

Record - 4 of 204 [TOP]

Compound ID	1034
Compound Structure
Plant Source	Achillea nobilis L. ssp. neilreichii (Kerner) Form´anek Common Name:
Source Family	Asteraceae (Compositae)
Origin	Turkey
Plant Part Used	Aerial
Extract	Ethanol (70 %)
Target Bacteria	Mycobacterium tuberculosis H37Ra
Assay / Test Done	Microplate Alamar Blue Assay (MABA)
Positive Control Used (conc.)	Rifampin (0.0047 – 0.0095 µg/ml), Isoniazid (0.05 – 0.1 µg/ml), Kanamycin (2.5 – 5.0 µg/ml)
Inhibition [%]
Activity [MIC] µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified	N/A
PubChem ID	NR
Ethnomedicinal Information	Tuberculosis
PubMed ID [Source Literature]	15507348
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) Tosun F, Kizilay CA, Sener B, Vural M, Palittapongarnpim P.Antimycobacterial screening of some Turkish plants.J Ethnopharmacol. 2004 Dec;95(2-3):273-5
Curator

Record - 5 of 204 [TOP]

Compound ID	1035
Compound Structure
Plant Source	Achillea wilhelmsii C. Koch Common Name:
Source Family	Asteraceae (Compositae)
Origin	Turkey
Plant Part Used	Aerial
Extract	Ethanol (70 %)
Target Bacteria	Mycobacterium tuberculosis H37Ra
Assay / Test Done	Microplate Alamar Blue Assay (MABA)
Positive Control Used (conc.)	Rifampin (0.0047 – 0.0095 µg/ml), Isoniazid (0.05 – 0.1 µg/ml), Kanamycin (2.5 – 5.0 µg/ml)
Inhibition [%]
Activity [MIC] µg/ml	200 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified	N/A
PubChem ID	NR
Ethnomedicinal Information	Tuberculosis
PubMed ID [Source Literature]	15507348
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) Tosun F, Kizilay CA, Sener B, Vural M, Palittapongarnpim P.Antimycobacterial screening of some Turkish plants.J Ethnopharmacol. 2004 Dec;95(2-3):273-5
Curator

Record - 6 of 204 [TOP]

Compound ID	1080
Compound Structure
Plant Source	Ageratum corimbosum Common Name:Flat - Top Whiteweed
Source Family	Asteraceae (Compositae)
Origin	Mexico
Plant Part Used	Aerial
Extract	Hexane, methanol
Target Bacteria
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml	> 200 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Cough
PubMed ID [Source Literature]	13680821
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) Jimenez-Arellanes A, Meckes M, Ramirez R, Torres J, Luna-Herrera J. Activity against multidrug-resistant Mycobacterium tuberculosis in Mexican plants used to treat respiratory diseases. Phytother Res. 2003 Sep;17(8):903-8
Curator

Record - 7 of 204 [TOP]

Compound ID	1157
Compound Structure
Plant Source	Althaea ludwigii L. Common Name:
Source Family	Malvaceae
Origin	India
Plant Part Used	Aerial
Extract	Ethanol (80 %)
Target Bacteria	Mycobacterium smegmatis
Assay / Test Done	Agar Dilution - Streak Assay
Positive Control Used (conc.)
Inhibition [%]	Partial
Activity [MIC] µg/ml	1000 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Aperient used in herbal medicine for other diseases
PubMed ID [Source Literature]	17276637
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) Gautam R, Saklani A, Jachak SM.Indian medicinal plants as a source of antimycobacterial agents.J Ethnopharmacol. 2007 Mar 21;110(2):200-34
Curator

Record - 8 of 204 [TOP]

Compound ID	1190
Compound Structure
Plant Source	Anoda cristata Common Name:Spurred Anoda, Crested Anoda, Violettas
Source Family	Malvaceae
Origin	Mexico
Plant Part Used	Aerial
Extract	Hexane, methanol
Target Bacteria
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml	> 200 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Cough
PubMed ID [Source Literature]	13680821
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) Jimenez-Arellanes A, Meckes M, Ramirez R, Torres J, Luna-Herrera J. Activity against multidrug-resistant Mycobacterium tuberculosis in Mexican plants used to treat respiratory diseases. Phytother Res. 2003 Sep;17(8):903-8 2) Eduardo C. Puricelli, Delma E. Faccini, Effect of soybean spatial arrangement and glyphosate dose on Anoda cristata demography, Crop Protection, Volume 24, Issue 3, March 2005, Pages 241-249.
Curator

Record - 9 of 204 [TOP]

Compound ID	1214
Compound Structure
Plant Source	Artemisia ludoviciana Common Name:White Sagebrush
Source Family	Asteraceae (Compositae)
Origin	Mexico
Plant Part Used	Aerial
Extract	Hexane, methanol
Target Bacteria
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml	200 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Cough, Pneumonia
PubMed ID [Source Literature]	13680821
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) Jimenez-Arellanes A, Meckes M, Ramirez R, Torres J, Luna-Herrera J. Activity against multidrug-resistant Mycobacterium tuberculosis in Mexican plants used to treat respiratory diseases. Phytother Res. 2003 Sep;17(8):903-8 2) http://plants.usda.gov/java/profile?symbol=ARLU
Curator

Record - 10 of 204 [TOP]

Compound ID

1258

Compound Structure

Plant Source

Bocconia arborea Common Name:Bocconia

Source Family

Papaveraceae

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

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Dihydrocheleritrine

PubChem ID

485077

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

349.131

Molecular Formula

C₂₁H₁₉NO₄

SMILES

O1c2cc3c4N(Cc5c(c4ccc3cc2OC1)ccc(OC)c5OC)C

XLogP

3.232

PSA

40.160

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

2) http://zipcodezoo.com/Plants/B/Bocconia_arborea/

Curator

Record - 11 of 204 [TOP]

Compound ID

1259

Compound Structure

Plant Source

Bocconia arborea Common Name:Bocconia

Source Family

Papaveraceae

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

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

6 - Methoxydihydrocheleritrine

PubChem ID

189060

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

379.142

Molecular Formula

C₂₂H₂₁NO₅

SMILES

O(C1N(c2c(c3c1c(OC)c(OC)cc3)ccc1c2cc2OCOc2c1)C)C

XLogP

3.216

PSA

49.390

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 12 of 204 [TOP]

Compound ID

1260

Compound Structure

Plant Source

Bocconia arborea Common Name:Bocconia

Source Family

Papaveraceae

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

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

6, 12 - Dimethoxydihydrocheleritrine

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

409.153

Molecular Formula

C₂₃H₂₃NO₆

SMILES

C1cc(c(c2c1c1c(N(C2OC)C)c2c(c(c1)OC)cc1OCOc1c2)OC)OC

XLogP

2.561

PSA

58.620

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 - 13 of 204 [TOP]

Compound ID

1261

Compound Structure

Plant Source

Bocconia arborea Common Name:Bocconia

Source Family

Papaveraceae

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

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

6 - Methoxydihydrosanguinarine

PubChem ID

14847270

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

363.111

Molecular Formula

C₂₁H₁₇NO₅

SMILES

O(C1N(c2c(c3c1c1OCOc1cc3)ccc1c2cc2OCOc2c1)C)C

XLogP

3.143

PSA

49.390

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 14 of 204 [TOP]

Compound ID

1262

Compound Structure

Plant Source

Bocconia arborea Common Name:Bocconia

Source Family

Papaveraceae

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

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

6 - Methoxydihydrochelirubine

PubChem ID

15932479

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

393.121

Molecular Formula

C₂₂H₁₉NO₆

SMILES

O(C1N(c2c(c3c1c1OCOc1cc3OC)ccc1c2cc2OCOc2c1)C)C

XLogP

2.699

PSA

58.620

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 204 [TOP]

Compound ID

1263

Compound Structure

Plant Source

Bocconia arborea Common Name:Bocconia

Source Family

Papaveraceae

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

Dihydrocheleritrine

PubChem ID

485077

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

349.131

Molecular Formula

C₂₁H₁₉NO₄

SMILES

O1c2cc3c4N(Cc5c(c4ccc3cc2OC1)ccc(OC)c5OC)C

XLogP

3.232

PSA

40.160

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 204 [TOP]

Compound ID

1264

Compound Structure

Plant Source

Bocconia arborea Common Name:Bocconia

Source Family

Papaveraceae

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

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

6 - Methoxydihydrocheleritrine

PubChem ID

189060

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

379.142

Molecular Formula

C₂₂H₂₁NO₅

SMILES

O(C1N(c2c(c3c1c(OC)c(OC)cc3)ccc1c2cc2OCOc2c1)C)C

XLogP

3.216

PSA

49.390

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 17 of 204 [TOP]

Compound ID

1265

Compound Structure

Plant Source

Bocconia arborea Common Name:Bocconia

Source Family

Papaveraceae

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

6, 12 - Dimethoxydihydrocheleritrine

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

409.153

Molecular Formula

C₂₃H₂₃NO₆

SMILES

C1cc(c(c2c1c1c(N(C2OC)C)c2c(c(c1)OC)cc1OCOc1c2)OC)OC

XLogP

2.561

PSA

58.620

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 204 [TOP]

Compound ID

1266

Compound Structure

Plant Source

Bocconia arborea Common Name:Bocconia

Source Family

Papaveraceae

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

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

6 - Methoxydihydrosanguinarine

PubChem ID

14847270

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

363.111

Molecular Formula

C₂₁H₁₇NO₅

SMILES

O(C1N(c2c(c3c1c1OCOc1cc3)ccc1c2cc2OCOc2c1)C)C

XLogP

3.143

PSA

49.390

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 19 of 204 [TOP]

Compound ID

1267

Compound Structure

Plant Source

Bocconia arborea Common Name:Bocconia

Source Family

Papaveraceae

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

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

6 - Methoxydihydrochelirubine

PubChem ID

15932479

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

393.121

Molecular Formula

C₂₂H₁₉NO₆

SMILES

O(C1N(c2c(c3c1c1OCOc1cc3OC)ccc1c2cc2OCOc2c1)C)C

XLogP

2.699

PSA

58.620

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 204 [TOP]

Compound ID

1268

Compound Structure

Plant Source

Bocconia arborea Common Name:Bocconia

Source Family

Papaveraceae

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

Dihydrocheleritrine

PubChem ID

485077

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

349.131

Molecular Formula

C₂₁H₁₉NO₄

SMILES

O1c2cc3c4N(Cc5c(c4ccc3cc2OC1)ccc(OC)c5OC)C

XLogP

3.232

PSA

40.160

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 204 [TOP]

Compound ID

1269

Compound Structure

Plant Source

Bocconia arborea Common Name:Bocconia

Source Family

Papaveraceae

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

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

6 - Methoxydihydrocheleritrine

PubChem ID

189060

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

379.142

Molecular Formula

C₂₂H₂₁NO₅

SMILES

O(C1N(c2c(c3c1c(OC)c(OC)cc3)ccc1c2cc2OCOc2c1)C)C

XLogP

3.216

PSA

49.390

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 22 of 204 [TOP]

Compound ID

1270

Compound Structure

Plant Source

Bocconia arborea Common Name:Bocconia

Source Family

Papaveraceae

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

6, 12 - Dimethoxydihydrocheleritrine

PubChem ID

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

409.153

Molecular Formula

C₂₃H₂₃NO₆

SMILES

C1cc(c(c2c1c1c(N(C2OC)C)c2c(c(c1)OC)cc1OCOc1c2)OC)OC

XLogP

2.561

PSA

58.620

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 23 of 204 [TOP]

Compound ID

1271

Compound Structure

Plant Source

Bocconia arborea Common Name:Bocconia

Source Family

Papaveraceae

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

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

6 - Methoxydihydrosanguinarine

PubChem ID

14847270

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

363.111

Molecular Formula

C₂₁H₁₇NO₅

SMILES

O(C1N(c2c(c3c1c1OCOc1cc3)ccc1c2cc2OCOc2c1)C)C

XLogP

3.143

PSA

49.390

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 24 of 204 [TOP]

Compound ID

1272

Compound Structure

Plant Source

Bocconia arborea Common Name:Bocconia

Source Family

Papaveraceae

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

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

6 - Methoxydihydrochelirubine

PubChem ID

15932479

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

393.121

Molecular Formula

C₂₂H₁₉NO₆

SMILES

O(C1N(c2c(c3c1c1OCOc1cc3OC)ccc1c2cc2OCOc2c1)C)C

XLogP

2.699

PSA

58.620

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 - 25 of 204 [TOP]

Compound ID

1273

Compound Structure

Plant Source

Bocconia arborea Common Name:Bocconia

Source Family

Papaveraceae

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

Dihydrocheleritrine

PubChem ID

485077

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Benzophenanthridine, Quinoline, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

349.131

Molecular Formula

C₂₁H₁₉NO₄

SMILES

O1c2cc3c4N(Cc5c(c4ccc3cc2OC1)ccc(OC)c5OC)C

XLogP

3.232

PSA

40.160

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

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