BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 1 Record - 1 of 22 [TOP]

Compound ID

1412

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

> 50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Strictosidine

PubChem ID

161336

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Alkaloid, Indole, Pyran, Ester, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

530.226

Molecular Formula

C₂₇H₃₄N₂O₉

SMILES

O([C@@H]1OC=C([C@@H](C[C@@H]2NCCc3c2[nH]c2c3cccc2)[C@H]1C=C)C(=O)OC)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO

XLogP

1.559

PSA

162.730

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 22 [TOP]

Compound ID

1414

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

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Strictosidine

PubChem ID

161336

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Alkaloid, Indole, Pyran, Ester, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

530.226

Molecular Formula

C₂₇H₃₄N₂O₉

SMILES

O([C@@H]1OC=C([C@@H](C[C@@H]2NCCc3c2[nH]c2c3cccc2)[C@H]1C=C)C(=O)OC)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO

XLogP

1.559

PSA

162.730

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 22 [TOP]

Compound ID

1416

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

Strictosidine

PubChem ID

161336

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Alkaloid, Indole, Pyran, Ester, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

530.226

Molecular Formula

C₂₇H₃₄N₂O₉

SMILES

O([C@@H]1OC=C([C@@H](C[C@@H]2NCCc3c2[nH]c2c3cccc2)[C@H]1C=C)C(=O)OC)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO

XLogP

1.559

PSA

162.730

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 22 [TOP]

Compound ID

1418

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

Strictosidine

PubChem ID

161336

Ethnomedicinal Information

Tuberculosis

PubMed ID [Source Literature]

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Alkaloid, Indole, Pyran, Ester, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

530.226

Molecular Formula

C₂₇H₃₄N₂O₉

SMILES

O([C@@H]1OC=C([C@@H](C[C@@H]2NCCc3c2[nH]c2c3cccc2)[C@H]1C=C)C(=O)OC)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO

XLogP

1.559

PSA

162.730

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 22 [TOP]

Compound ID

3376

Compound Structure

Plant Source

Rauwolfia biauriculata Common Name:NR

Source Family

Apocynaceae

Origin

Guadeloupe

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

Bactec: 100 µg/ml, 7H11 agar: > 200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Lochnerin

PubChem ID

6436184

Ethnomedicinal Information

Antimycobacterial

PubMed ID [Source Literature]

9626931

Extract Preparation

The dried powdered material was moistened with 25 % NH₄OH, and extracted by chloroform. The organic phase was treated with 2 % HCl, the acid layer was washed with petroleum ether, basified with 25 % NH₄OH, and extracted with chloroform. The organic phase was washed with water, and dried over Na₂SO₄. The organic extracts were evaporated and subjected to chromatography on silica gel

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Indole, Alkaloid, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Fresh Loëwenstein - Jensen (LJ) slants, Middlebrook 7H11 agar medium

Cytotoxicity Assay [AID]

Molecular Weight

324.184

Molecular Formula

C₂₀H₂₄N₂O₂

SMILES

OC[C@H]1[C@H]2N3[C@@H](C[C@H]1/C(=CC)/C3)c1[nH]c3c(c1C2)cc(OC)cc3

XLogP

1.784

PSA

48.490

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) Rastogi N, Abaul J, Goh KS, Devallois A, Philogène E, Bourgeois P.Antimycobacterial activity of chemically defined natural substances from the Caribbean flora in Guadeloupe.FEMS Immunol Med Microbiol. 1998 Apr;20(4):267-73

Curator

Wvarsha, rachanake

Record - 6 of 22 [TOP]

Compound ID

3377

Compound Structure

Plant Source

Rauwolfia biauriculata Common Name:NR

Source Family

Apocynaceae

Origin

Guadeloupe

Plant Part Used

Extract

Target Bacteria

Mycobacterium avium 733

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

Bactec: > 100 µg/ml, 7H11 agar: > 200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Lochnerin

PubChem ID

6436184

Ethnomedicinal Information

Antimycobacterial

PubMed ID [Source Literature]

9626931

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Indole, Alkaloid, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Fresh Loëwenstein - Jensen (LJ) slants, Middlebrook 7H11 agar medium

Cytotoxicity Assay [AID]

Molecular Weight

324.184

Molecular Formula

C₂₀H₂₄N₂O₂

SMILES

OC[C@H]1[C@H]2N3[C@@H](C[C@H]1/C(=CC)/C3)c1[nH]c3c(c1C2)cc(OC)cc3

XLogP

1.784

PSA

48.490

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

Wvarsha, rachanake

Record - 7 of 22 [TOP]

Compound ID

3378

Compound Structure

Plant Source

Rauwolfia biauriculata Common Name:NR

Source Family

Apocynaceae

Origin

Guadeloupe

Plant Part Used

Extract

Target Bacteria

Mycobacterium kansasii (Clinical isolate 94 - 069)

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

Bactec: > 100 µg/ml, 7H11 agar: > 200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Lochnerin

PubChem ID

6436184

Ethnomedicinal Information

Antimycobacterial

PubMed ID [Source Literature]

9626931

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Indole, Alkaloid, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Fresh Loëwenstein - Jensen (LJ) slants, Middlebrook 7H11 agar medium

Cytotoxicity Assay [AID]

Molecular Weight

324.184

Molecular Formula

C₂₀H₂₄N₂O₂

SMILES

OC[C@H]1[C@H]2N3[C@@H](C[C@H]1/C(=CC)/C3)c1[nH]c3c(c1C2)cc(OC)cc3

XLogP

1.784

PSA

48.490

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

Wvarsha, rachanake

Record - 8 of 22 [TOP]

Compound ID

3379

Compound Structure

Plant Source

Tabernaemontana citrifolia Common Name:NR

Source Family

Apocynaceae

Origin

Guadeloupe

Plant Part Used

Extract

Target Bacteria

Mycobacterium avium 733

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

Bactec: 100 µg/ml, 7H11 agar: > 200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ibogaine

PubChem ID

197060

Ethnomedicinal Information

Antimycobacterial

PubMed ID [Source Literature]

9626931

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Pentacyclic, Alkaloid, Indole, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Fresh Loëwenstein - Jensen (LJ) slants, Middlebrook 7H11 agar medium

Cytotoxicity Assay [AID]

Molecular Weight

310.205

Molecular Formula

C₂₀H₂₆N₂O

SMILES

O(c1cc2c3c([nH]c2cc1)[C@H]1[C@H]2N(C[C@@H](C1)C[C@@H]2CC)CC3)C

XLogP

3.580

PSA

28.260

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Vikramjitmandal, rachanake

Record - 9 of 22 [TOP]

Compound ID

3380

Compound Structure

Plant Source

Tabernaemontana citrifolia Common Name:NR

Source Family

Apocynaceae

Origin

Guadeloupe

Plant Part Used

Extract

Target Bacteria

Mycobacterium kansasii (Clinical isolate 94 - 069)

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

Bactec: 100 µg/ml, 7H11 agar: 100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Voacangine

PubChem ID

73255

Ethnomedicinal Information

Antimycobacterial

PubMed ID [Source Literature]

9626931

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Indole, Alkaloid, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Fresh Loëwenstein - Jensen (LJ) slants, Middlebrook 7H11 agar medium

Cytotoxicity Assay [AID]

Molecular Weight

368.210

Molecular Formula

C₂₂H₂₈N₂O₃

SMILES

O(C(=O)[C@]12[C@H]3N(C[C@H](C1)C[C@@H]3CC)CCc1c2[nH]c2c1cc(OC)cc2)C

XLogP

3.286

PSA

54.560

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, rachanake

Record - 10 of 22 [TOP]

Compound ID

3381

Compound Structure

Plant Source

Tabernaemontana citrifolia Common Name:NR

Source Family

Apocynaceae

Origin

Guadeloupe

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

Bactec: 50 µg/ml, 7H11 agar: 50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Voacangine

PubChem ID

73255

Ethnomedicinal Information

Antimycobacterial

PubMed ID [Source Literature]

9626931

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Indole, Alkaloid, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Fresh Loëwenstein - Jensen (LJ) slants, Middlebrook 7H11 agar medium

Cytotoxicity Assay [AID]

Molecular Weight

368.210

Molecular Formula

C₂₂H₂₈N₂O₃

SMILES

O(C(=O)[C@]12[C@H]3N(C[C@H](C1)C[C@@H]3CC)CCc1c2[nH]c2c1cc(OC)cc2)C

XLogP

3.286

PSA

54.560

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, rachanake

Record - 11 of 22 [TOP]

Compound ID

3382

Compound Structure

Plant Source

Tabernaemontana citrifolia Common Name:NR

Source Family

Apocynaceae

Origin

Guadeloupe

Plant Part Used

Extract

Target Bacteria

Mycobacterium avium 733

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

Bactec: 50 µg/ml, 7H11 agar: > 200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Voacangine

PubChem ID

73255

Ethnomedicinal Information

Antimycobacterial

PubMed ID [Source Literature]

9626931

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Indole, Alkaloid, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Fresh Loëwenstein - Jensen (LJ) slants, Middlebrook 7H11 agar medium

Cytotoxicity Assay [AID]

Molecular Weight

368.210

Molecular Formula

C₂₂H₂₈N₂O₃

SMILES

O(C(=O)[C@]12[C@H]3N(C[C@H](C1)C[C@@H]3CC)CCc1c2[nH]c2c1cc(OC)cc2)C

XLogP

3.286

PSA

54.560

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, rachanake

Record - 12 of 22 [TOP]

Compound ID

3383

Compound Structure

Plant Source

Tabernaemontana citrifolia Common Name:NR

Source Family

Apocynaceae

Origin

Guadeloupe

Plant Part Used

Extract

Target Bacteria

Mycobacterium kansasii (Clinical isolate 94 - 069)

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

Bactec: 50 µg/ml, 7H11 agar: 50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ibogaine

PubChem ID

197060

Ethnomedicinal Information

Antimycobacterial

PubMed ID [Source Literature]

9626931

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Pentacyclic, Alkaloid, Indole, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Fresh Loëwenstein - Jensen (LJ) slants, Middlebrook 7H11 agar medium

Cytotoxicity Assay [AID]

Molecular Weight

310.205

Molecular Formula

C₂₀H₂₆N₂O

SMILES

O(c1cc2c3c([nH]c2cc1)[C@H]1[C@H]2N(C[C@@H](C1)C[C@@H]2CC)CC3)C

XLogP

3.580

PSA

28.260

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Vikramjitmandal, rachanake

Record - 13 of 22 [TOP]

Compound ID

3538

Compound Structure

Plant Source

Tabernaemontana citrifolia Common Name:NR

Source Family

Apocynaceae

Origin

Guadeloupe

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

Bactec: 50 µg/ml, 7H11 agar: 50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ibogaine

PubChem ID

197060

Ethnomedicinal Information

Antimycobacterial

PubMed ID [Source Literature]

9626931

Extract Preparation

The dried powdered material was moistened with 25 % NH₄OH, and extracted by Chloroform. The organic phase was treated with 2 % HCl, the acid layer was washed with petroleum ether, basified with 25 % NH₄OH, and extracted with Chloroform. The organic phase was washed with water, and dried over Na₂SO₄. The organic extracts were evaporated and subjected to chromatography on silica gel

Chemical Classification [Active Compound]

Aromatic, Pentacyclic, Alkaloid, Indole, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Fresh Loëwenstein - Jensen (LJ) slants, Middlebrook 7H11 agar medium

Cytotoxicity Assay [AID]

Molecular Weight

310.205

Molecular Formula

C₂₀H₂₆N₂O

SMILES

O(c1cc2c3c([nH]c2cc1)[C@H]1[C@H]2N(C[C@@H](C1)C[C@@H]2CC)CC3)C

XLogP

3.580

PSA

28.260

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Vikramjitmandal, rachanake

Record - 14 of 22 [TOP]

Compound ID

3563

Compound Structure

Plant Source

Cryptolepis sanguinolenta Common Name:Nibima

Source Family

Apocynaceae

Origin

West Africa

Plant Part Used

Root

Extract

Ammonia moistened chloroform

Target Bacteria

Mycobacterium fortuitum

Assay / Test Done

MTT Assay

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

Cryptolepine hydrochloride

PubChem ID

156093

Ethnomedicinal Information

Antimycobacterial, antimalarial

PubMed ID [Source Literature]

12722159

Extract Preparation

Cryptolepine was isolated from Cryptolepis sanguinolenta roots and crystallized as the hydrochloride salt

Chemical Classification [Active Compound]

Aromatic, Quinoline, Alkaloid, Indole

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton broth, Colombia blood agar, 7H9 Middle Brook medium

Cytotoxicity Assay [AID]

Molecular Weight

232.100

Molecular Formula

C₁₆H₁₃ClN₂

SMILES

Cl.n1(c2c(nc3c2cccc3)cc2c1cccc2)C

XLogP

4.596

PSA

15.600

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) Gibbons S, Fallah F, Wright CW.Cryptolepine hydrochloride: a potent antimycobacterial alkaloid derived from Cryptolepis sanguinolenta.Phytother Res. 2003 Apr;17(4):434-6

Curator

Wvarsha, rachanake

Record - 15 of 22 [TOP]

Compound ID

3564

Compound Structure

Plant Source

Cryptolepis sanguinolenta Common Name:Nibima

Source Family

Apocynaceae

Origin

West Africa

Plant Part Used

Root

Extract

Ammonia moistened chloroform

Target Bacteria

Mycobacterium smegmatis (ATCC 14468)

Assay / Test Done

MTT Assay

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

Cryptolepine hydrochloride

PubChem ID

156093

Ethnomedicinal Information

Antimycobacterial, antimalarial

PubMed ID [Source Literature]

12722159

Extract Preparation

Cryptolepine was isolated from Cryptolepis sanguinolenta roots and crystallized as the hydrochloride salt

Chemical Classification [Active Compound]

Aromatic, Quinoline, Alkaloid, Indole

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton broth, Colombia blood agar, 7H9 Middle Brook medium

Cytotoxicity Assay [AID]

Molecular Weight

232.100

Molecular Formula

C₁₆H₁₃ClN₂

SMILES

Cl.n1(c2c(nc3c2cccc3)cc2c1cccc2)C

XLogP

4.596

PSA

15.600

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) Gibbons S, Fallah F, Wright CW.Cryptolepine hydrochloride: a potent antimycobacterial alkaloid derived from Cryptolepis sanguinolenta.Phytother Res. 2003 Apr;17(4):434-6

Curator

Wvarsha, rachanake

Record - 16 of 22 [TOP]

Compound ID

3565

Compound Structure

Plant Source

Cryptolepis sanguinolenta Common Name:Nibima

Source Family

Apocynaceae

Origin

West Africa

Plant Part Used

Root

Extract

Ammonia moistened chloroform

Target Bacteria

Mycobacterium phlei

Assay / Test Done

MTT Assay

Positive Control Used (conc.)

Ethambutol (1 µg/ml), Isoniazid (2 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

4 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Cryptolepine hydrochloride

PubChem ID

156093

Ethnomedicinal Information

Antimycobacterial, antimalarial

PubMed ID [Source Literature]

12722159

Extract Preparation

Cryptolepine was isolated from Cryptolepis sanguinolenta roots and crystallized as the hydrochloride salt

Chemical Classification [Active Compound]

Aromatic, Quinoline, Alkaloid, Indole

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton broth, Colombia blood agar, 7H9 Middle Brook medium

Cytotoxicity Assay [AID]

Molecular Weight

232.100

Molecular Formula

C₁₆H₁₃ClN₂

SMILES

Cl.n1(c2c(nc3c2cccc3)cc2c1cccc2)C

XLogP

4.596

PSA

15.600

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) Gibbons S, Fallah F, Wright CW.Cryptolepine hydrochloride: a potent antimycobacterial alkaloid derived from Cryptolepis sanguinolenta.Phytother Res. 2003 Apr;17(4):434-6

Curator

Wvarsha, rachanake

Record - 17 of 22 [TOP]

Compound ID

3566

Compound Structure

Plant Source

Cryptolepis sanguinolenta Common Name:Nibima

Source Family

Apocynaceae

Origin

West Africa

Plant Part Used

Root

Extract

Ammonia moistened chloroform

Target Bacteria

Mycobacterium abscessus

Assay / Test Done

MTT Assay

Positive Control Used (conc.)

Ethambutol (128 µg/ml), Isoniazid (32 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

32 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Cryptolepine hydrochloride

PubChem ID

156093

Ethnomedicinal Information

Antimycobacterial, antimalarial

PubMed ID [Source Literature]

12722159

Extract Preparation

Cryptolepine was isolated from Cryptolepis sanguinolenta roots and crystallized as the hydrochloride salt

Chemical Classification [Active Compound]

Aromatic, Quinoline, Alkaloid, Indole

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton broth, Colombia blood agar, 7H9 Middle Brook medium

Cytotoxicity Assay [AID]

Molecular Weight

232.100

Molecular Formula

C₁₆H₁₃ClN₂

SMILES

Cl.n1(c2c(nc3c2cccc3)cc2c1cccc2)C

XLogP

4.596

PSA

15.600

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) Gibbons S, Fallah F, Wright CW.Cryptolepine hydrochloride: a potent antimycobacterial alkaloid derived from Cryptolepis sanguinolenta.Phytother Res. 2003 Apr;17(4):434-6

Curator

Wvarsha, rachanake

Record - 18 of 22 [TOP]

Compound ID

3567

Compound Structure

Plant Source

Cryptolepis sanguinolenta Common Name:Nibima

Source Family

Apocynaceae

Origin

West Africa

Plant Part Used

Root

Extract

Ammonia moistened chloroform

Target Bacteria

Mycobacterium aurum

Assay / Test Done

MTT Assay

Positive Control Used (conc.)

Ethambutol (1 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

Cryptolepine hydrochloride

PubChem ID

156093

Ethnomedicinal Information

Antimycobacterial,AntimalAerial

PubMed ID [Source Literature]

12722159

Extract Preparation

Cryptolepine was isolated from Cryptolepis sanguinolenta roots and crystallized as the hydrochloride salt

Chemical Classification [Active Compound]

Aromatic, Quinoline, Alkaloid, Indole

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton broth, Colombia blood agar, 7H9 Middle Brook medium

Cytotoxicity Assay [AID]

Molecular Weight

232.100

Molecular Formula

C₁₆H₁₃ClN₂

SMILES

Cl.n1(c2c(nc3c2cccc3)cc2c1cccc2)C

XLogP

4.596

PSA

15.600

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) Gibbons S, Fallah F, Wright CW.Cryptolepine hydrochloride: a potent antimycobacterial alkaloid derived from Cryptolepis sanguinolenta.Phytother Res. 2003 Apr;17(4):434-6

Curator

Wvarsha, rachanake

Record - 19 of 22 [TOP]

Compound ID

3568

Compound Structure

Plant Source

Cryptolepis sanguinolenta Common Name:Nibima

Source Family

Apocynaceae

Origin

West Africa

Plant Part Used

Root

Extract

Ammonia moistened chloroform

Target Bacteria

Mycobacterium bovis (BCG - Bacillus Calmette Guerin)

Assay / Test Done

MTT Assay

Positive Control Used (conc.)

Streptomycin sulphate (6.25 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

Cryptolepine hydrochloride

PubChem ID

156093

Ethnomedicinal Information

Antimycobacterial,AntimalAerial

PubMed ID [Source Literature]

12722159

Extract Preparation

Cryptolepine was isolated from Cryptolepis sanguinolenta roots and crystallized as the hydrochloride salt

Chemical Classification [Active Compound]

Aromatic, Quinoline, Alkaloid, Indole

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton broth, Colombia blood agar, 7H9 Middle Brook medium

Cytotoxicity Assay [AID]

Molecular Weight

232.100

Molecular Formula

C₁₆H₁₃ClN₂

SMILES

Cl.n1(c2c(nc3c2cccc3)cc2c1cccc2)C

XLogP

4.596

PSA

15.600

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) Gibbons S, Fallah F, Wright CW.Cryptolepine hydrochloride: a potent antimycobacterial alkaloid derived from Cryptolepis sanguinolenta.Phytother Res. 2003 Apr;17(4):434-6

Curator

Wvarsha, rachanake

Record - 20 of 22 [TOP]

Compound ID

4129

Compound Structure

Plant Source

Cryptolepis sanguinolenta Common Name:

Source Family

Apocynaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium aurum

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

Cryptolepine

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Indole, Quinoline

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

233.108

Molecular Formula

C₁₆H₁₃N₂

SMILES

C[n+]1c2c(cccc2)cc2c1c1ccccc1[nH]2

XLogP

4.611

PSA

19.670

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) In silico Comparison of Antimycobacterial Natural Products with Known Antituberculosis Drugs. Marlene Espinoza-Moraga, Nicholas M. Njuguna, Grace Mugumbate, Julio Caballero, and Kelly Chibale. Journal of Chemical Information and Modeling 2013 53 (3), 649-660

2) Rogoza, L. N.; Salakhutdinov, N. F.; Tolstikov, G. A. Anti-tubercular Activity of Natural Products: Recent Developments. In Opportunity, Challenge and Scope of Natural Products in Medicinal Chemistry; Tiwari, V. K. Ed.; Research Signpost: India, 2011; pp 103-120

Curator

Record - 21 of 22 [TOP]

Compound ID

4130

Compound Structure

Plant Source

Cryptolepis sanguinolenta Common Name:

Source Family

Apocynaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium phlei

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

4 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Cryptolepine

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Indole, Quinoline

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

233.108

Molecular Formula

C₁₆H₁₃N₂

SMILES

C[n+]1c2c(cccc2)cc2c1c1ccccc1[nH]2

XLogP

4.611

PSA

19.670

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Record - 22 of 22 [TOP]

Compound ID

4131

Compound Structure

Plant Source

Cryptolepis sanguinolenta Common Name:

Source Family

Apocynaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium fortuitum

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

16 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Cryptolepine

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Tetracyclic, Alkaloid, Indole, Quinoline

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

233.108

Molecular Formula

C₁₆H₁₃N₂

SMILES

C[n+]1c2c(cccc2)cc2c1c1ccccc1[nH]2

XLogP

4.611

PSA

19.670

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

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