BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 1 Record - 1 of 7 [TOP]

Compound ID

3744

Compound Structure

Plant Source

Ziziphus cambodiana Pierre Common Name:NR

Source Family

Rhamnaceae

Origin

Northeast of Thailand

Plant Part Used

Root bark

Extract

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.004 µg/ml), Isoniazid (0.06 µg/ml), Kanamycin sulphate (2.5 µg/ml)

Inhibition [%]

>= 90 %

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

3-O-Vanillylceanothic acid

PubChem ID

11988338

Ethnomedicinal Information

Malaria, tuberculosis

PubMed ID [Source Literature]

16595959

Extract Preparation

Pulverized, dry root bark (4.85 kg) of Ziziphus cambodiana was defatted with hexane and then extracted successively with ethyl acetate (EtOAc) and Methanol (MeOH) at 50°C for 50 h, and the solvents were evaporated to yield EtOAc (60.4 g) and MeOH (629.3 g) extracts, respectively

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Vanillyl, Acid

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

N/A

Molecular Weight

636.366

Molecular Formula

C₃₈H₅₂O₈

SMILES

O([C@@H]1C([C@H]2[C@@](C3[C@]([C@]4(C(C5[C@@](CC4)(CC[C@H]5C(=C)C)C(=O)O)CC3)C)(CC2)C)([C@H]1C(=O)O)C)(C)C)C(=O)c1cc(OC)c(O)cc1

XLogP

9.336

PSA

130.360

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

1) Suksamrarn S, Panseeta P, Kunchanawatta S, Distaporn T, Ruktasing S, Suksamrarn A.Ceanothane- and lupane-type triterpenes with antiplasmodial and antimycobacterial activities from Ziziphus cambodiana.Chem Pharm Bull (Tokyo). 2006 Apr;54(4):535-7

Curator

Vikramjitmandal, rachanake

Record - 2 of 7 [TOP]

Compound ID

3745

Compound Structure

Plant Source

Ziziphus cambodiana Pierre Common Name:NR

Source Family

Rhamnaceae

Origin

Northeast of Thailand

Plant Part Used

Root bark

Extract

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.004 µg/ml), Isoniazid (0.06 µg/ml), Kanamycin sulphate (2.5 µg/ml)

Inhibition [%]

>= 90 %

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Betulinaldehyde

PubChem ID

317607

Ethnomedicinal Information

Malaria, tuberculosis

PubMed ID [Source Literature]

16595959

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Aldehyde, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

N/A

Molecular Weight

440.365

Molecular Formula

C₃₀H₄₈O₂

SMILES

OC1C(C2C(C3C(C4(C(C5C(CC4)(CCC5C(=C)C)C=O)CC3)C)(CC2)C)(CC1)C)(C)C

XLogP

9.821

PSA

37.300

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Vikramjitmandal, rachanake

Record - 3 of 7 [TOP]

Compound ID

3746

Compound Structure

Plant Source

Ziziphus cambodiana Pierre Common Name:NR

Source Family

Rhamnaceae

Origin

Northeast of Thailand

Plant Part Used

Root bark

Extract

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.004 µg/ml), Isoniazid (0.06 µg/ml), Kanamycin sulphate (2.5 µg/ml)

Inhibition [%]

>= 90 %

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Betulinic acid

PubChem ID

64971

Ethnomedicinal Information

Malaria, tuberculosis

PubMed ID [Source Literature]

16595959

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Alcohol, Acid

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

N/A

Molecular Weight

456.360

Molecular Formula

C₃₀H₄₈O₃

SMILES

O[C@@H]1C([C@H]2[C@@]([C@@H]3[C@]([C@]4([C@@H]([C@@H]5[C@@](CC4)(CC[C@H]5C(=C)C)C(=O)O)CC3)C)(CC2)C)(CC1)C)(C)C

XLogP

9.407

PSA

57.530

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Vikramjitmandal, rachanake

Record - 4 of 7 [TOP]

Compound ID

3747

Compound Structure

Plant Source

Ziziphus cambodiana Pierre Common Name:NR

Source Family

Rhamnaceae

Origin

Northeast of Thailand

Plant Part Used

Root bark

Extract

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.004 µg/ml), Isoniazid (0.06 µg/ml), Kanamycin sulphate (2.5 µg/ml)

Inhibition [%]

>= 90 %

Activity [MIC] µg/ml

12.5 µg/ml (IC50 : 0.9)

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

2-O-E-p-Coumaroylalphitolic

PubChem ID

15958446

Ethnomedicinal Information

PubMed ID [Source Literature]

16595959

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Alcohol, Acid, Cinnamoyl, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

618.392

Molecular Formula

C₃₉H₅₄O₆

SMILES

O([C@@H]1C[C@@]2(C3[C@]([C@]4(C(C5[C@@](CC4)(CC[C@H]5C(=C)C)C(=O)O)CC3)C)(CC[C@H]2C([C@H]1O)(C)C)C)C)C(=O)/C=C/c1ccc(O)cc1

XLogP

10.872

PSA

104.060

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 - 5 of 7 [TOP]

Compound ID

3748

Compound Structure

Plant Source

Ziziphus cambodiana Pierre Common Name:NR

Source Family

Rhamnaceae

Origin

Northeast of Thailand

Plant Part Used

Root bark

Extract

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.004 µg/ml), Isoniazid (0.06 µg/ml), Kanamycin sulphate (2.5 µg/ml)

Inhibition [%]

>= 90 %

Activity [MIC] µg/ml

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Alphitolic acid

PubChem ID

470606

Ethnomedicinal Information

Malaria, tuberculosis

PubMed ID [Source Literature]

16595959

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Alcohol, Acid

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

N/A

Molecular Weight

470.340

Molecular Formula

C₃₀H₄₆O₄

SMILES

O[C@@H]1C(C2[C@@](C3[C@]([C@]4(C(=CC3)C3[C@@](CC4)(CC[C@H]3C(=C)C)C(=O)O)C)(CC2)C)(C[C@H]1O)C)(C)C

XLogP

7.326

PSA

77.760

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

Vikramjitmandal, rachanake

Record - 6 of 7 [TOP]

Compound ID

3749

Compound Structure

Plant Source

Ziziphus cambodiana Pierre Common Name:NR

Source Family

Rhamnaceae

Origin

Northeast of Thailand

Plant Part Used

Root bark

Extract

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.004 µg/ml), Isoniazid (0.06 µg/ml), Kanamycin sulphate (2.5 µg/ml)

Inhibition [%]

>= 90 %

Activity [MIC] µg/ml

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Zizyberanalic acid

PubChem ID

15958447

Ethnomedicinal Information

Malaria, tuberculosis

PubMed ID [Source Literature]

16595959

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Alcohol, Aldehyde, Acid

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

N/A

Molecular Weight

470.340

Molecular Formula

C₃₀H₄₆O₄

SMILES

O[C@H]1C([C@H]2[C@@](C3[C@]([C@]4(C(C5[C@@](CC4)(CC[C@H]5C(=C)C)C(=O)O)CC3)C)(CC2)C)([C@@H]1C=O)C)(C)C

XLogP

8.733

PSA

74.600

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Vikramjitmandal, rachanake

Record - 7 of 7 [TOP]

Compound ID

3750

Compound Structure

Plant Source

Ziziphus cambodiana Pierre Common Name:NR

Source Family

Rhamnaceae

Origin

Northeast of Thailand

Plant Part Used

Root bark

Extract

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Rifampin (0.004 µg/ml), Isoniazid (0.06 µg/ml), Kanamycin sulphate (2.5 µg/ml)

Inhibition [%]

>= 90 %

Activity [MIC] µg/ml

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Zizyberenalic acid

PubChem ID

15958447

Ethnomedicinal Information

Malaria, tuberculosis

PubMed ID [Source Literature]

16595959

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Alcohol, Aldehyde, Acid

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

N/A

Molecular Weight

470.340

Molecular Formula

C₃₀H₄₆O₄

SMILES

O[C@H]1C([C@H]2[C@@](C3[C@]([C@]4(C(C5[C@@](CC4)(CC[C@H]5C(=C)C)C(=O)O)CC3)C)(CC2)C)([C@@H]1C=O)C)(C)C

XLogP

8.733

PSA

74.600

H-bond Donor

H-bond Acceptor

No. of Rotatable Bond Count

No. of Rings

No. of N

No. of O

No. of S

Reference(s)

Curator

Vikramjitmandal, rachanake

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