BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 4 Record - 1 of 80 [TOP]

Compound ID	1332
Compound Structure
Plant Source	Caesalpinia pulcherrima Common Name:Poinciana, Peacock Flower, Red Bird of Paradise
Source Family	Fabaceae
Origin	Native to Central America, grown widely in South and Southeast Asia
Plant Part Used	Root
Extract
Target Bacteria	Mycobacterium tuberculosis
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml	6.25 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Fever, sores, cough, breathing difficulty and chest pain
PubMed ID [Source Literature]	14531033
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) Promsawan N, Kittakoop P, Boonphong S, Nongkunsarn P.Antitubercular cassane furanoditerpenoids from the roots of Caesalpinia pulcherrima.Planta Med. 2003 Aug;69(8):776-7 2) "Taxon: Caesalpinia pulcherrima (L.) Sw.". Germplasm Resources Information Network. United States Department of Agriculture. 2004-03-26 3) S. Allen Counter (2006-07-24). "Amazon mystery: A medicine man understood the secrets of this plant long before we did. How?". The Boston Globe.
Curator

Record - 2 of 80 [TOP]

Compound ID	1333
Compound Structure
Plant Source	Caesalpinia pulcherrima Common Name:Poinciana, Peacock Flower, Red Bird of Paradise
Source Family	Fabaceae
Origin	Native to Central America, grown widely in South and Southeast Asia
Plant Part Used	Root
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
PubChem ID	NR
Ethnomedicinal Information	Tuberculosis
PubMed ID [Source Literature]	14531033
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) Promsawan N, Kittakoop P, Boonphong S, Nongkunsarn P.Antitubercular cassane furanoditerpenoids from the roots of Caesalpinia pulcherrima.Planta Med. 2003 Aug;69(8):776-7
Curator

Record - 3 of 80 [TOP]

Compound ID

2379

Compound Structure

Plant Source

Piper sarmentosum Roxb. Common Name:Cha Plu

Source Family

Piperaceae

Origin

Probably Southeast Asia, Malaysia

Plant Part Used

Fruit

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.050 µg/ml), Kanamycin sulfate (2.5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Pellitorine

PubChem ID

5318516

Ethnomedicinal Information

Cough, anti - tuberculosis and anti - plasmodial activities

PubMed ID [Source Literature]

15234750

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aliphatic, Alkene, Alkaloid, Amide

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

223.194

Molecular Formula

C₁₄H₂₅NO

SMILES

O=C(NCC(C)C)/C=C/C=C/CCCCC

XLogP

4.469

PSA

29.100

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) Rukachaisirikul T, Siriwattanakit P, Sukcharoenphol K, Wongvein C, Ruttanaweang P, Wongwattanavuch P, Suksamrarn A.Chemical constituents and bioactivity of Piper sarmentosum.J Ethnopharmacol. 2004 Aug;93(2-3):173-6

Curator

Record - 4 of 80 [TOP]

Compound ID

2380

Compound Structure

Plant Source

Piper sarmentosum Roxb. Common Name:Cha Plu

Source Family

Piperaceae

Origin

Probably Southeast Asia, Malaysia

Plant Part Used

Fruit

Extract

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.050 µg/ml), Kanamycin sulfate (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

Guineensine

PubChem ID

6442405

Ethnomedicinal Information

Cough, anti - tuberculosis and anti - plasmodial activities

PubMed ID [Source Literature]

15234750

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Alkyl, Alkene, Amide, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

383.246

Molecular Formula

C₂₄H₃₃NO₃

SMILES

O1c2cc(/C=C/CCCCCC/C=C/C=C/C(=O)NCC(C)C)ccc2OC1

XLogP

7.275

PSA

47.560

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

Record - 5 of 80 [TOP]

Compound ID

2381

Compound Structure

Plant Source

Piper sarmentosum Roxb. Common Name:Cha Plu

Source Family

Piperaceae

Origin

Probably Southeast Asia, Malaysia

Plant Part Used

Fruit

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.050 µg/ml), Kanamycin sulfate (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

Brachyamide B

PubChem ID

Ethnomedicinal Information

Cough, anti - tuberculosis and anti - plasmodial activities

PubMed ID [Source Literature]

15234750

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Alkyl, Alkene, Alkaloid, Pyrrolidine, Amide

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

327.183

Molecular Formula

C₂₀H₂₅NO₃

SMILES

C1N(CCC1)C(=O)/C=C/CCCC/C=C/c1cc2c(cc1)OCO2

XLogP

5.013

PSA

38.770

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 - 6 of 80 [TOP]

Compound ID

2382

Compound Structure

Plant Source

Piper sarmentosum Roxb. Common Name:Cha Plu

Source Family

Piperaceae

Origin

Probably Southeast Asia, Malaysia

Plant Part Used

Fruit

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.050 µg/ml), Kanamycin sulfate (2.5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Sarmentosine

PubChem ID

Ethnomedicinal Information

Cough, anti - tuberculosis and anti - plasmodial activities

PubMed ID [Source Literature]

15234750

Extract Preparation

The pulverized, dried fruits of Piper sarmentosum (2.39 kg) were extracted successively with hexane and MeOH in a Soxhlet apparatus. After removal of solvent in vacuo, the hexane extract (70.7 g) was subjected to quick CC (silica gel) eluting with hexane, hexane–CHCl₃, CHCl₃, CHCl₃–MeOH and MeOH to give 6 main fractions

Chemical Classification [Active Compound]

Aromatic, Alkyl, Alkene, Alkaloid, Pyrrolidine, Amide, Acid

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

299.152

Molecular Formula

C₁₈H₂₁NO₃

SMILES

C1c2c(ccc1/C=C/CC/C=C/C(=O)N1CCCC1)OCO2

XLogP

3.875

PSA

38.770

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 80 [TOP]

Compound ID

2383

Compound Structure

Plant Source

Piper sarmentosum Roxb. Common Name:Cha Plu

Source Family

Piperaceae

Origin

Probably Southeast Asia, Malaysia

Plant Part Used

Fruit

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Sesamin

PubChem ID

72307

Ethnomedicinal Information

Cough, anti - tuberculosis and anti - plasmodial activities

PubMed ID [Source Literature]

15234750

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Polycyclic, Lignan, Furanoid, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

354.110

Molecular Formula

C₂₀H₁₈O₆

SMILES

O1[C@@H]([C@@H]2[C@@H]([C@H](OC2)c2cc3OCOc3cc2)C1)c1cc2OCOc2cc1

XLogP

2.576

PSA

55.380

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 80 [TOP]

Compound ID	2384
Compound Structure	N/A
Plant Source	Piper sarmentosum Roxb. Common Name:Cha Plu
Source Family	Piperaceae
Origin	Probably Southeast Asia, Malaysia
Plant Part Used	Whole plant
Extract	Methanol
Target Bacteria	Mycobacterium tuberculosis H37Rv
Assay / Test Done	Colorimetric Tetrazolium Microplate Assay (TEMA)
Positive Control Used (conc.)	Isoniazid (0.078 µg/ml)
Inhibition [%]
Activity [MIC] µg/ml	800 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified	N/A
PubChem ID	NR
Ethnomedicinal Information	Cough, anti - tuberculosis and anti - plasmodial activities
PubMed ID [Source Literature]
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) Zakaria, M., Mohd, M.A., 1994. Traditional Malay Medicinal Plants. Fajar Bakti Sdn Bhd, Kuala Lumpur, Malaysia
Curator

Record - 9 of 80 [TOP]

Compound ID

2385

Compound Structure

Plant Source

Piper sarmentosum Roxb. Common Name:Cha Plu

Source Family

Piperaceae

Origin

Probably Southeast Asia, Malaysia

Plant Part Used

Fresh root

Extract

Ethanol

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.04 - 0.09 µg/ml) and Kanamycin sulphate (2.0 - 5.0 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

PubChem ID

17758236

Ethnomedicinal Information

Cough, anti - tuberculosis and anti - plasmodial activities

PubMed ID [Source Literature]

16462055

Extract Preparation

N/A

Chemical Classification [Active Compound]

Aromatic, Pentacyclic, Alkaloid, Thiophene, Benzopyran, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

485.202

Molecular Formula

C₃₀H₃₁NO₃S

SMILES

S1c(/C=C/2Oc3c(c4c2c2c(NC(C=C2C)(C)C)cc4)c(OC)c(O)cc3)c(/C(=C/CC)/C)cc1

XLogP

7.049

PSA

78.960

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) Tuntiwachwuttikul P, Phansa P, Pootaeng-On Y, Taylor WC.Chemical constituents of the roots of Piper sarmentosum.Chem Pharm Bull (Tokyo). 2006 Feb;54(2):149-51

Curator

Record - 10 of 80 [TOP]

Compound ID

2386

Compound Structure

Plant Source

Piper sarmentosum Roxb. Common Name:Cha Plu

Source Family

Piperaceae

Origin

Probably Southeast Asia, Malaysia

Plant Part Used

Fresh root

Extract

Ethanol

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.04 - 0.09 µg/ml) and Kanamycin sulphate (2.0 - 5.0 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

N - [9 - (3, 4 - Methylenedioxyphenyl) - 2E, 4E, 8E - Nonatrienoyl] Pyrrolidine

PubChem ID

Ethnomedicinal Information

Cough, anti - tuberculosis and anti - plasmodial activities

PubMed ID [Source Literature]

16462055

Extract Preparation

The fresh roots of Piper sarmentosum (481 g) were ground and extracted with 95 % EtOH at room temperature. After filtration and evaporation, the ethanolic extract was obtained as a brown viscous oil (19.4 g). The oil was partitioned between water (200 ml) and EtOAc (3 x 200 ml) and the water layer was further partitioned with n - BuOH (3 x 200 ml). Evaporation of the EtOAc-, n-BuOH- and water - soluble fractions gave a dark brown oil (6.3 g), a brown oil (1.8 g) and a light brown oil (10.5 g), respectively. The EtOAc - soluble fraction (6.3 g) was separated by flash column chromatography using silica gel

Chemical Classification [Active Compound]

Aromatic, Alkene, Phenylpropanoid, Pyrrolidine, Amide, Ether

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

325.168

Molecular Formula

C₂₀H₂₃NO₃

SMILES

C1c2c(ccc1/C=C/CC/C=C/C=C/C(=O)N1CCCC1)OCO2

XLogP

4.569

PSA

38.770

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) Tuntiwachwuttikul P, Phansa P, Pootaeng-On Y, Taylor WC.Chemical constituents of the roots of Piper sarmentosum.Chem Pharm Bull (Tokyo). 2006 Feb;54(2):149-51

Curator

Record - 11 of 80 [TOP]

Compound ID

2387

Compound Structure

Plant Source

Piper sarmentosum Roxb. Common Name:Cha Plu

Source Family

Piperaceae

Origin

Probably Southeast Asia, Malaysia

Plant Part Used

Fresh root, fruit

Extract

Ethanol

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.04 - 0.09 µg/ml) and Kanamycin sulphate (2.0 - 5.0 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Sarmentine

PubChem ID

6440616

Ethnomedicinal Information

Cough, anti - tuberculosis and anti - plasmodial activities

PubMed ID [Source Literature]

16462055

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Alkene, Pyrrolidine, Amide, Alkaloid

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

221.178

Molecular Formula

C₁₄H₂₃NO

SMILES

O=C(N1CCCC1)/C=C/C=C/CCCCC

XLogP

4.039

PSA

20.310

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) Tuntiwachwuttikul P, Phansa P, Pootaeng-On Y, Taylor WC.Chemical constituents of the roots of Piper sarmentosum.Chem Pharm Bull (Tokyo). 2006 Feb;54(2):149-51

Curator

Record - 12 of 80 [TOP]

Compound ID

2388

Compound Structure

Plant Source

Piper sarmentosum Roxb. Common Name:Cha Plu

Source Family

Piperaceae

Origin

Probably Southeast Asia, Malaysia

Plant Part Used

Fresh Root

Extract

Ethanol

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.04 - 0.09 µg/ml) and Kanamycin sulphate (2.0 - 5.0 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Brachyamide B

PubChem ID

Ethnomedicinal Information

Cough, anti - tuberculosis and anti - plasmodial activities

PubMed ID [Source Literature]

16462055

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Alkyl, Alkene, Alkaloid, Pyrrolidine, Amide

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

327.183

Molecular Formula

C₂₀H₂₅NO₃

SMILES

C1N(CCC1)C(=O)/C=C/CCCC/C=C/c1cc2c(cc1)OCO2

XLogP

5.013

PSA

38.770

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) Tuntiwachwuttikul P, Phansa P, Pootaeng-On Y, Taylor WC.Chemical constituents of the roots of Piper sarmentosum.Chem Pharm Bull (Tokyo). 2006 Feb;54(2):149-51

Curator

Record - 13 of 80 [TOP]

Compound ID

2389

Compound Structure

Plant Source

Piper sarmentosum Roxb. Common Name:Cha Plu

Source Family

Piperaceae

Origin

Probably Southeast Asia, Malaysia

Plant Part Used

Fresh root

Extract

Ethanol (95 %)

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.04 - 0.09 µg/ml) and Kanamycin sulphate (2.0 - 5.0 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Sarmentosine

PubChem ID

Ethnomedicinal Information

Cough, anti - tuberculosis and anti - plasmodial activities

PubMed ID [Source Literature]

16462055

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Alkyl, Alkene, Alkaloid, Pyrrolidine, Amide, Acid

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

N/A

Molecular Weight

299.152

Molecular Formula

C₁₈H₂₁NO₃

SMILES

C1c2c(ccc1/C=C/CC/C=C/C(=O)N1CCCC1)OCO2

XLogP

3.875

PSA

38.770

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) Tuntiwachwuttikul P, Phansa P, Pootaeng-On Y, Taylor WC.Chemical constituents of the roots of Piper sarmentosum.Chem Pharm Bull (Tokyo). 2006 Feb;54(2):149-51

Curator

Record - 14 of 80 [TOP]

Compound ID

2390

Compound Structure

Plant Source

Piper sarmentosum Roxb. Common Name:Cha Plu

Source Family

Piperaceae

Origin

Probably Southeast Asia, Malaysia

Plant Part Used

Fresh root

Extract

Ethanol (95 %)

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.04 - 0.09 µg/ml) and Kanamycin sulphate (2.0 - 5.0 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Pellitorine

PubChem ID

5318516

Ethnomedicinal Information

Cough, anti - tuberculosis and anti - plasmodial activities

PubMed ID [Source Literature]

16462055

Extract Preparation

Chemical Classification [Active Compound]

Aliphatic, Alkene, Alkaloid, Amide

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

223.194

Molecular Formula

C₁₄H₂₅NO

SMILES

O=C(NCC(C)C)/C=C/C=C/CCCCC

XLogP

4.469

PSA

29.100

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) Tuntiwachwuttikul P, Phansa P, Pootaeng-On Y, Taylor WC.Chemical constituents of the roots of Piper sarmentosum.Chem Pharm Bull (Tokyo). 2006 Feb;54(2):149-51

Curator

Record - 15 of 80 [TOP]

Compound ID

2863

Compound Structure

Plant Source

Curcuma longa Common Name:Turmeric

Source Family

Zingiberaceae

Origin

Southeast Asian countries

Plant Part Used

Dried rhizome

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

1961 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Demethoxycurcumin

PubChem ID

5324476

Ethnomedicinal Information

Folk medicine, Antioxidant, anti - HIV, antimutagenic, antiangiogenic, antimalarial, antitubercular, antiandrogenic, COX inhibitory activities

PubMed ID [Source Literature]

20027668

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Alkene, Curcuminoid, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

338.115

Molecular Formula

C₂₀H₁₈O₅

SMILES

O(c1cc(ccc1O)/C=C/C(=C/C(=O)/C=C/c1ccc(O)cc1)/O)C

XLogP

3.610

PSA

86.990

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) Agrawal DK, Mishra PK.Curcumin and its analogues: potential anticancer agents.Med Res Rev. 2010 Sep;30(5):818-60

Curator

Reshmi

Record - 16 of 80 [TOP]

Compound ID

2989

Compound Structure

Plant Source

Curcuma longa Common Name:Turmeric

Source Family

Zingiberaceae

Origin

Southeast Asia

Plant Part Used

Root

Extract

Target Bacteria

Mycobacterium tuberculosis M3 (MDR (Multi - drug - resistant) strains which are Isoniazid, Rifampin and Streptomycin resistant)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

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

Inhibition [%]

Activity [MIC] µg/ml

0.39 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Mono - Pentoxy - Curcumin Isoxazole

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

20691508

Extract Preparation

Treatment with hydroxylamine hydrochloride in pyridin, HPLC, NMR analysis, shade - dried, ground and extracted

Chemical Classification [Active Compound]

Aromatic, Alkene, Curcuminoid, Isoxazole, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9GC

Cytotoxicity Assay [AID]

Molecular Weight

435.205

Molecular Formula

C₂₆H₂₉NO₅

SMILES

C1c(c(ccc1/C=C/c1cc(/C=C/c2cc(c(cc2)O)OC)on1)OCCCCC)OC

XLogP

6.765

PSA

73.950

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) Changtam C, Hongmanee P, Suksamrarn A.Isoxazole analogs of curcuminoids with highly potent multidrug-resistant antimycobacterial activity.Eur J Med Chem. 2010 Oct;45(10):4446-57

Curator

Lekha Raveendran, wvarsha

Record - 17 of 80 [TOP]

Compound ID

2990

Compound Structure

Plant Source

Curcuma longa Common Name:Turmeric

Source Family

Zingiberaceae

Origin

Southeast Asia

Plant Part Used

Root

Extract

Target Bacteria

Mycobacterium tuberculosis M4 (MDR (Multi - drug - resistant) strains which are Isoniazid, Rifampin and Streptomycin resistant)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

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

Inhibition [%]

Activity [MIC] µg/ml

1.56 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Mono - Pentoxy - Curcumin Isoxazole

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

20691508

Extract Preparation

Treatment with hydroxylamine hydrochloride in pyridin, HPLC, NMR analysis, shade - dried, ground and extracted

Chemical Classification [Active Compound]

Aromatic, Alkene, Curcuminoid, Isoxazole, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9GC

Cytotoxicity Assay [AID]

Molecular Weight

435.205

Molecular Formula

C₂₆H₂₉NO₅

SMILES

C1c(c(ccc1/C=C/c1cc(/C=C/c2cc(c(cc2)O)OC)on1)OCCCCC)OC

XLogP

6.765

PSA

73.950

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) Changtam C, Hongmanee P, Suksamrarn A.Isoxazole analogs of curcuminoids with highly potent multidrug-resistant antimycobacterial activity.Eur J Med Chem. 2010 Oct;45(10):4446-57

Curator

Wvarsha, Lekha Raveendran

Record - 18 of 80 [TOP]

Compound ID

2991

Compound Structure

Plant Source

Curcuma longa Common Name:Turmeric

Source Family

Zingiberaceae

Origin

Southeast Asia

Plant Part Used

Root

Extract

Target Bacteria

Mycobacterium tuberculosis M5 (MDR (Multi - drug - resistant) strains which are Isoniazid, Rifampin and Streptomycin resistant)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

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

Inhibition [%]

Activity [MIC] µg/ml

1.56 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Mono - Pentoxy - Curcumin Isoxazole

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

20691508

Extract Preparation

Treatment with hydroxylamine hydrochloride in pyridin, HPLC, NMR analysis, shade - dried, ground and extracted

Chemical Classification [Active Compound]

Aromatic, Alkene, Curcuminoid, Isoxazole, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9GC

Cytotoxicity Assay [AID]

Molecular Weight

435.205

Molecular Formula

C₂₆H₂₉NO₅

SMILES

C1c(c(ccc1/C=C/c1cc(/C=C/c2cc(c(cc2)O)OC)on1)OCCCCC)OC

XLogP

6.765

PSA

73.950

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) Changtam C, Hongmanee P, Suksamrarn A.Isoxazole analogs of curcuminoids with highly potent multidrug-resistant antimycobacterial activity.Eur J Med Chem. 2010 Oct;45(10):4446-57

Curator

Wvarsha, vsheeba

Record - 19 of 80 [TOP]

Compound ID

2992

Compound Structure

Plant Source

Curcuma longa Common Name:Turmeric

Source Family

Zingiberaceae

Origin

Southeast Asia

Plant Part Used

Root

Extract

Target Bacteria

Mycobacterium tuberculosis M6 (MDR (Multi - drug - resistant) strains which are Isoniazid and Rifampin resistant)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

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

Inhibition [%]

Activity [MIC] µg/ml

0.78 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Mono - Pentoxy - Curcumin Isoxazole

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

20691508

Extract Preparation

Treatment with hydroxylamine hydrochloride in pyridin, HPLC, NMR analysis, shade - dried, ground and extracted

Chemical Classification [Active Compound]

Aromatic, Alkene, Curcuminoid, Isoxazole, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9GC

Cytotoxicity Assay [AID]

Molecular Weight

435.205

Molecular Formula

C₂₆H₂₉NO₅

SMILES

C1c(c(ccc1/C=C/c1cc(/C=C/c2cc(c(cc2)O)OC)on1)OCCCCC)OC

XLogP

6.765

PSA

73.950

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) Changtam C, Hongmanee P, Suksamrarn A.Isoxazole analogs of curcuminoids with highly potent multidrug-resistant antimycobacterial activity.Eur J Med Chem. 2010 Oct;45(10):4446-57

Curator

Wvarsha, vsheeba

Record - 20 of 80 [TOP]

Compound ID

2993

Compound Structure

Plant Source

Curcuma longa Common Name:Turmeric

Source Family

Zingiberaceae

Origin

Southeast Asia

Plant Part Used

Root

Extract

Target Bacteria

Mycobacterium tuberculosis M8 (Isoniazid, Rifampin, Ethambutol, Streptomycin resistant)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

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

Inhibition [%]

Activity [MIC] µg/ml

3.125 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Mono - Pentoxy - Curcumin Isoxazole

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

20691508

Extract Preparation

Treatment with hydroxylamine hydrochloride in pyridin, HPLC, NMR analysis, shade - dried, ground and extracted

Chemical Classification [Active Compound]

Aromatic, Alkene, Curcuminoid, Isoxazole, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9GC

Cytotoxicity Assay [AID]

Molecular Weight

435.205

Molecular Formula

C₂₆H₂₉NO₅

SMILES

C1c(c(ccc1/C=C/c1cc(/C=C/c2cc(c(cc2)O)OC)on1)OCCCCC)OC

XLogP

6.765

PSA

73.950

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) Changtam C, Hongmanee P, Suksamrarn A.Isoxazole analogs of curcuminoids with highly potent multidrug-resistant antimycobacterial activity.Eur J Med Chem. 2010 Oct;45(10):4446-57

Curator

Wvarsha, vsheeba

Record - 21 of 80 [TOP]

Compound ID

2994

Compound Structure

Plant Source

Curcuma longa Common Name:Turmeric

Source Family

Zingiberaceae

Origin

Southeast Asia

Plant Part Used

Root

Extract

Target Bacteria

Mycobacterium tuberculosis M11 (MDR (Multi - drug - resistant) strains which are Isoniazid and Rifampin resistant)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

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

Inhibition [%]

Activity [MIC] µg/ml

3.125 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Mono - Pentoxy - Curcumin Isoxazole

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

20691508

Extract Preparation

Treatment with hydroxylamine hydrochloride in pyridin, HPLC, NMR analysis, shade - dried, ground and extracted

Chemical Classification [Active Compound]

Aromatic, Alkene, Curcuminoid, Isoxazole, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9GC

Cytotoxicity Assay [AID]

Molecular Weight

435.205

Molecular Formula

C₂₆H₂₉NO₅

SMILES

C1c(c(ccc1/C=C/c1cc(/C=C/c2cc(c(cc2)O)OC)on1)OCCCCC)OC

XLogP

6.765

PSA

73.950

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) Changtam C, Hongmanee P, Suksamrarn A.Isoxazole analogs of curcuminoids with highly potent multidrug-resistant antimycobacterial activity.Eur J Med Chem. 2010 Oct;45(10):4446-57

Curator

Wvarsha, vsheeba

Record - 22 of 80 [TOP]

Compound ID

2995

Compound Structure

Plant Source

Curcuma longa Common Name:Turmeric

Source Family

Zingiberaceae

Origin

Southeast Asia

Plant Part Used

Root

Extract

Target Bacteria

Mycobacterium tuberculosis M16 (MDR (Multi - drug - resistant) strains which are Isoniazid, Rifampin and Ethambutol resistant)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

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

Inhibition [%]

Activity [MIC] µg/ml

1.25 µg/spot

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Mono - Pentoxy - Curcumin Isoxazole

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

20691508

Extract Preparation

Treatment with hydroxylamine hydrochloride in pyridin, HPLC, NMR analysis, shade - dried, ground and extracted

Chemical Classification [Active Compound]

Aromatic, Alkene, Curcuminoid, Isoxazole, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9GC

Cytotoxicity Assay [AID]

Molecular Weight

435.205

Molecular Formula

C₂₆H₂₉NO₅

SMILES

C1c(c(ccc1/C=C/c1cc(/C=C/c2cc(c(cc2)O)OC)on1)OCCCCC)OC

XLogP

6.765

PSA

73.950

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) Changtam C, Hongmanee P, Suksamrarn A.Isoxazole analogs of curcuminoids with highly potent multidrug-resistant antimycobacterial activity.Eur J Med Chem. 2010 Oct;45(10):4446-57

Curator

Wvarsha, vsheeba

Record - 23 of 80 [TOP]

Compound ID

2996

Compound Structure

Plant Source

Curcuma longa Common Name:Turmeric

Source Family

Zingiberaceae

Origin

Southeast Asia

Plant Part Used

Root

Extract

Target Bacteria

Mycobacterium tuberculosis M21 (MDR (Multi - drug - resistant) strains which are Isoniazid, Rifampin, Ethambutol and Streptomycin resistant)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

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

Inhibition [%]

Activity [MIC] µg/ml

3.125 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Mono - Pentoxy - Curcumin Isoxazole

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

20691508

Extract Preparation

Treatment with hydroxylamine hydrochloride in pyridin, HPLC, NMR analysis, shade - dried, ground and extracted

Chemical Classification [Active Compound]

Aromatic, Alkene, Curcuminoid, Isoxazole, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9GC

Cytotoxicity Assay [AID]

Molecular Weight

435.205

Molecular Formula

C₂₆H₂₉NO₅

SMILES

C1c(c(ccc1/C=C/c1cc(/C=C/c2cc(c(cc2)O)OC)on1)OCCCCC)OC

XLogP

6.765

PSA

73.950

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) Changtam C, Hongmanee P, Suksamrarn A.Isoxazole analogs of curcuminoids with highly potent multidrug-resistant antimycobacterial activity.Eur J Med Chem. 2010 Oct;45(10):4446-57

Curator

Wvarsha, vsheeba

Record - 24 of 80 [TOP]

Compound ID

2997

Compound Structure

Plant Source

Curcuma longa Common Name:Turmeric

Source Family

Zingiberaceae

Origin

Southeast Asia

Plant Part Used

Root

Extract

Target Bacteria

Mycobacterium tuberculosis M22 (MDR (Multi - drug - resistant) strains which are Isoniazid and Rifampin resistant)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

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

Inhibition [%]

Activity [MIC] µg/ml

0.78 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Mono - Pentoxy - Curcumin Isoxazole

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

20691508

Extract Preparation

Teatment wit Treatment with hydroxylamine hydrochloride in pyridin, HPLC, NMR analysis, shade - dried, ground and extracted

Chemical Classification [Active Compound]

Aromatic, Alkene, Curcuminoid, Isoxazole, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9GC

Cytotoxicity Assay [AID]

Molecular Weight

435.205

Molecular Formula

C₂₆H₂₉NO₅

SMILES

C1c(c(ccc1/C=C/c1cc(/C=C/c2cc(c(cc2)O)OC)on1)OCCCCC)OC

XLogP

6.765

PSA

73.950

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) Changtam C, Hongmanee P, Suksamrarn A.Isoxazole analogs of curcuminoids with highly potent multidrug-resistant antimycobacterial activity.Eur J Med Chem. 2010 Oct;45(10):4446-57

Curator

Wvarsha, vsheeba

Record - 25 of 80 [TOP]

Compound ID

2998

Compound Structure

Plant Source

Curcuma longa Common Name:Turmeric

Source Family

Zingiberaceae

Origin

Southeast Asia

Plant Part Used

Root

Extract

Target Bacteria

Mycobacterium tuberculosis M27 (MDR (Multi - drug - resistant) strains which are Isoniazid and Rifampin resistant)

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

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

Inhibition [%]

Activity [MIC] µg/ml

0.39 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Mono - Pentoxy - Curcumin Isoxazole

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

20691508

Extract Preparation

Treatment with hydroxylamine hydrochloride in pyridin, HPLC, NMR analysis, shade - dried, ground and extracted

Chemical Classification [Active Compound]

Aromatic, Alkene, Curcuminoid, Isoxazole, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Middlebrook 7H9GC

Cytotoxicity Assay [AID]

Molecular Weight

435.205

Molecular Formula

C₂₆H₂₉NO₅

SMILES

C1c(c(ccc1/C=C/c1cc(/C=C/c2cc(c(cc2)O)OC)on1)OCCCCC)OC

XLogP

6.765

PSA

73.950

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) Changtam C, Hongmanee P, Suksamrarn A.Isoxazole analogs of curcuminoids with highly potent multidrug-resistant antimycobacterial activity.Eur J Med Chem. 2010 Oct;45(10):4446-57

Curator

Wvarsha, vsheeba

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