BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 1 Record - 1 of 16 [TOP]

Compound ID

2964

Compound Structure

Plant Source

Haloxylon salicornicum Bunge ex Boiss Common Name:NR

Source Family

Chenopodiaceae

Origin

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

Plant Part Used

Whole plant

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Micro Broth Dilution Method

Positive Control Used (conc.)

Isoniazid (0.02 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

5α-Epidioxyergosta-6,9(11), 22-triene

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

20542692

Extract Preparation

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

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Peroxy, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9 broth

Cytotoxicity Assay [AID]

Molecular Weight

426.313

Molecular Formula

C₂₈H₄₂O₃

SMILES

C1C[C@@H](C[C@@]23[C@]1(C1=CC[C@@]4(C(CC[C@H]4[C@]1(C=C2)OO3)[C@@H](/C=C/[C@H](C(C)C)C)C)C)C)O

XLogP

7.484

PSA

38.690

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

Curator

KeyaMukherjee, vsheeba

Record - 2 of 16 [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 - 3 of 16 [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 - 4 of 16 [TOP]

Compound ID

3059

Compound Structure

Plant Source

Ajuga remota Benth. Common Name:NR

Source Family

Lamiaceae

Origin

Plant Part Used

Aerial

Extract

Methanol

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Radiorespirometric Bioassay

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

1 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ergosterol - 5, 8 - Endoperoxide

PubChem ID

6475766

Ethnomedicinal Information

Antiplasmodial and leishmanicidal activity

PubMed ID [Source Literature]

10630115

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Steroid, Peroxy, Alkene

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against A431 (skin carcinoma) cell line

Molecular Weight

412.334

Molecular Formula

C₂₈H₄₄O₂

SMILES

O1[C@@]23[C@@H]([C@@]4([C@]1(C[C@@H](O)CC4)C=C2)C)CC[C@]1([C@H]3CC[C@@H]1C(C)/C=C/[C@@H](C(C)C)C)C

XLogP

8.257

PSA

29.460

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) 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

Najiya-beegum, vikramjitmandal

Record - 5 of 16 [TOP]

Compound ID

3118

Compound Structure

Plant Source

Rudbeckia laciniata Common Name:Thimbleweed

Source Family

Asteraceae (Compositae)

Origin

Eastern North America

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

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

KeyaMukherjee, reshmi

Record - 6 of 16 [TOP]

Compound ID

3591

Compound Structure

Plant Source

Ruprechtia trifolia Griseb Common Name:

Source Family

Polynaceae

Origin

Plant Part Used

Aerial

Extract

Dichloromethane:Methanol

Target Bacteria

Mycobacterium tuberculosis H37Rv (ATCC 27294)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.06 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

4 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

5α, 8α - Epidioxyergosta - 6, 22 - Dien - 3β - Yl Stearate

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

12898418

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Peroxy, Ester, Stearate

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

694.590

Molecular Formula

C₄₆H₇₈O₄

SMILES

C12[C@@]3([C@@]4(C=C[C@@]1(C1[C@](CC2)([C@H](CC1)[C@@H](/C=C/[C@@H](C(C)C)C)C)C)OO4)C[C@H](CC3)OC(=O)CCCCCCCCCCCCCCCCC)C

XLogP

17.911

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) Woldemichael GM, Franzblau SG, Zhang F, Wang Y, Timmermann BN.Inhibitory effect of sterols from Ruprechtia triflora and diterpenes from Calceolaria pinnifolia on the growth of Mycobacterium tuberculosis.Planta Med. 2003 Jul;69(7):628-31

Curator

Rachana, vikramjitmandal

Record - 7 of 16 [TOP]

Compound ID

3964

Compound Structure

Plant Source

Ruprechtia trifolia Griseb Common Name:

Source Family

Polynaceae

Origin

Plant Part Used

Aerial

Extract

Dichloromethane:Methanol

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.06 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

5α,8α-epidioxyergost-6,22-dien-3β-ol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

12898418

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Peroxy, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

428.329

Molecular Formula

C₂₈H₄₄O₃

SMILES

C1C[C@@H](C[C@@]23[C@]1(C1[C@@](C=C2)(OO3)C2[C@](CC1)([C@H](CC2)[C@@H](/C=C/[C@@H](C(C)C)C)C)C)C)O

XLogP

8.383

PSA

38.690

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 - 8 of 16 [TOP]

Compound ID

3994

Compound Structure

Plant Source

Morinda citrifolia Common Name:

Source Family

Rubiaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

2.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

NPMC53

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Peroxy, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

444.360

Molecular Formula

C₂₉H₄₈O₃

SMILES

CC(C)[C@H](CC)/C=C/[C@@H](C)[C@H]1CCC2[C@]34CC[C@@]5(OO3)C[C@@H](O)CC[C@]5(C)C4CC[C@]12C

XLogP

9.550

PSA

38.690

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) 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 - 9 of 16 [TOP]

Compound ID

4028

Compound Structure

Plant Source

Jatropha integerrima Common Name:

Source Family

Euphorbiaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Caniojane

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Terpene, Diterpene, Pyran, Peroxy, Ketone

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

356.199

Molecular Formula

C₂₂H₂₈O₄

SMILES

C[C@H]1[C@@H](C(=C)C)[C@H]2[C@H]3C4=C(C(=O)C(=C2)C)[C@@H]([C@H]([C@@]24OC[C@]3(OO2)C1)C)C

XLogP

2.842

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) 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) García, A., Bocanegra-García, V., Palma-Nicolás, J. P., Rivera, G. Vennerstrom, J. L. Recent Advances in Antitubercular Natural Products. Eur. J. Med. Chem. 2012, 49, 1-23

Curator

Record - 10 of 16 [TOP]

Compound ID

4038

Compound Structure

Plant Source

Blepharodon nitidum Common Name:

Source Family

Asclepiadaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis (H37Rv and MDR strain)

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

EJMC68

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Cycloartane, Peroxy, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

458.376

Molecular Formula

C₃₀H₅₀O₃

SMILES

C=C(C)C(OO)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3CCC4C(C)(C)[C@@H](O)CC[C@@]54[C@]3(C5)CC[C@]12C

XLogP

9.986

PSA

49.690

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) 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) García, A., Bocanegra-García, V., Palma-Nicolás, J. P., Rivera, G. Vennerstrom, J. L. Recent Advances in Antitubercular Natural Products. Eur. J. Med. Chem. 2012, 49, 1-23

Curator

Record - 11 of 16 [TOP]

Compound ID

4126

Compound Structure

Plant Source

Anisochilus harmandii Common Name:

Source Family

Lamiaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

9α,13α-epidioxyabiet-8(14)-en-18-oic acid

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Diterpene, Peroxy, Acid

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

334.214

Molecular Formula

C₂₀H₃₀O₄

SMILES

C[C@]12[C@@H](CCC3=C[C@]4(C(C)C)CC[C@]13OO4)[C@](C)(C(=O)O)CCC2

XLogP

3.285

PSA

55.760

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) 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) García, A., Bocanegra-García, V., Palma-Nicolás, J. P., Rivera, G. Vennerstrom, J. L. Recent Advances in Antitubercular Natural Products. Eur. J. Med. Chem. 2012, 49, 1-23

Curator

Record - 12 of 16 [TOP]

Compound ID

4134

Compound Structure

Plant Source

Blepharodon nitidum Common Name:

Source Family

Asclepiadaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

EJMC69

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Cycloartane, Peroxy, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

458.376

Molecular Formula

C₃₀H₅₀O₃

SMILES

CC(C)(OO)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)C3CCC4C(C)(C)[C@@H](O)CC[C@@]54[C@]3(C5)CC[C@]12C

XLogP

10.306

PSA

49.690

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) 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) García, A., Bocanegra-García, V., Palma-Nicolás, J. P., Rivera, G. Vennerstrom, J. L. Recent Advances in Antitubercular Natural Products. Eur. J. Med. Chem. 2012, 49, 1-23

Curator

Record - 13 of 16 [TOP]

Compound ID

4135

Compound Structure

Plant Source

Blepharodon nitidum Common Name:

Source Family

Asclepiadaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis (MDR strain)

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

EJMC69

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Cycloartane, Peroxy, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

458.376

Molecular Formula

C₃₀H₅₀O₃

SMILES

CC(C)(OO)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)C3CCC4C(C)(C)[C@@H](O)CC[C@@]54[C@]3(C5)CC[C@]12C

XLogP

10.306

PSA

49.690

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) 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) García, A., Bocanegra-García, V., Palma-Nicolás, J. P., Rivera, G. Vennerstrom, J. L. Recent Advances in Antitubercular Natural Products. Eur. J. Med. Chem. 2012, 49, 1-23

Curator

Record - 14 of 16 [TOP]

Compound ID

4151

Compound Structure

Plant Source

Ruprechtia triflora Common Name:

Source Family

Polygonaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

2-4 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

NPMC54a

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Peroxy, Ester, Stearate

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

694.590

Molecular Formula

C₄₆H₇₈O₄

SMILES

CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CCC2[C@]34C=C[C@@]5(OO3)C[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)CC[C@]5(C)C4CC[C@]12C

XLogP

17.911

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)

Curator

Record - 15 of 16 [TOP]

Compound ID

4152

Compound Structure

Plant Source

Ruprechtia triflora Common Name:

Source Family

Polygonaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

2-4 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

NPMC54b

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Peroxy, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

428.329

Molecular Formula

C₂₈H₄₄O₃

SMILES

CC([C@@H](/C=C/[C@H]([C@H]1CCC2[C@@]34C=C[C@]5(C[C@H](CC[C@@]5(C3CC[C@]12C)C)O)OO4)C)C)C

XLogP

8.383

PSA

38.690

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 - 16 of 16 [TOP]

Compound ID

4153

Compound Structure

Plant Source

Ruprechtia triflora Common Name:

Source Family

Polygonaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

2-4 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

NPMC54c

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Steroid, Peroxy, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

442.345

Molecular Formula

C₂₉H₄₆O₃

SMILES

CC(C)[C@H](CC)/C=C/[C@@H](C)[C@H]1CCC2[C@]34C=C[C@@]5(OO3)C[C@@H](O)CC[C@]5(C)C4CC[C@]12C

XLogP

8.952

PSA

38.690

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

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