BioPhytMol: A database of Phytomolecules against Mycobacteria

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

Compound ID

1084

Compound Structure

Plant Source

Ailanthus altissima (Mill.) Swingle syn. Altissima glandulsa Desf. Common Name:Tree of Heaven, Ailanto (English), Aralu (Sanskrit)

Source Family

Simaroubaceae

Origin

India, China

Plant Part Used

Mother tinture

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Rifampin (0.031 µg/ml)

Inhibition [%]

19 %

Activity [MIC] µg/ml

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Shinjulactone K

PubChem ID

460541

Ethnomedicinal Information

Used for treating mental illness, nausea and headache, treating cardiac palpitation, asthma and epilepsy

PubMed ID [Source Literature]

17276637

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Terpene, Triterpene, Quassinoid, Lactone, O-Acetyl, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

408.215

Molecular Formula

C₂₂H₃₂O₇

SMILES

O1[C@H]2[C@@]3([C@@H]([C@@]4([C@@H](C2)[C@@H](C[C@H](O)C4=O)C)C)[C@H](O)[C@H](OC(=O)C)[C@@H]([C@@H]3CC1=O)C)C

XLogP

1.595

PSA

110.130

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) Gautam R, Saklani A, Jachak SM.Indian medicinal plants as a source of antimycobacterial agents.J Ethnopharmacol. 2007 Mar 21;110(2):200-34

2) Rahman S, Fukamiya N, Okano M, Tagahara K, Lee KH.Anti-tuberculosis activity of quassinoids.Chem Pharm Bull (Tokyo). 1997 Sep;45(9):1527-9

Curator

Record - 2 of 16 [TOP]

Compound ID

1085

Compound Structure

Plant Source

Ailanthus altissima (Mill.) Swingle syn. Altissima glandulsa Desf. Common Name:Tree of Heaven, Ailanto (English), Aralu (Sanskrit)

Source Family

Simaroubaceae

Origin

India, China

Plant Part Used

Mother tinture

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Rifampin (0.031 µg/ml)

Inhibition [%]

17 %

Activity [MIC] µg/ml

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Ailanthone

PubChem ID

72965

Ethnomedicinal Information

Used for treating mental illness, nausea and headache, treating cardiac palpitation, asthma and epilepsy

PubMed ID [Source Literature]

17276637

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Quassinoid, Furanoid, Lactone, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

376.152

Molecular Formula

C₂₀H₂₄O₇

SMILES

O1[C@]2(O)[C@H]3[C@]4([C@H](OC(=O)C[C@H]4C(=C)[C@H]2O)C[C@@H]2[C@@]3([C@H](O)C(=O)C=C2C)C)C1

XLogP

-0.429

PSA

113.290

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 16 [TOP]

Compound ID

1086

Compound Structure

Plant Source

Ailanthus altissima (Mill.) Swingle syn. Altissima glandulsa Desf. Common Name:Tree of Heaven, Ailanto (English), Aralu (Sanskrit)

Source Family

Simaroubaceae

Origin

India, China

Plant Part Used

Mother tinture

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Rifampin (0.031 µg/ml)

Inhibition [%]

15 %

Activity [MIC] µg/ml

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Shinjudilactone

PubChem ID

460534

Ethnomedicinal Information

Used for treating mental illness, nausea and headache, treating cardiac palpitation, asthma and epilepsy

PubMed ID [Source Literature]

17276637

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Quassinoid, Lactone

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

376.152

Molecular Formula

C₂₀H₂₄O₇

SMILES

O1[C@H]2[C@]34[C@@H]([C@@]5([C@@H](C2)C(=CC(=O)[C@H]5O)C)C)[C@](O)(C([C@@H]3CC1=O)C)C(=O)OC4

XLogP

0.413

PSA

110.130

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 16 [TOP]

Compound ID	1296
Compound Structure
Plant Source	Brucea antidysenterica Common Name:
Source Family	Simaroubaceae
Origin	Nigeria
Plant Part Used
Extract
Target Bacteria	Mycobacterium tuberculosis
Assay / Test Done
Positive Control Used (conc.)	Rifampin (0.03 µg/ml)
Inhibition [%]
Activity [MIC] 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]
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) Mann, A., Ibrahim, K., Oyewale, A.O., Amupitan, J.O., and Okogun, J.I., 2009, Antimycobacterial activity of some me-dicinal plants in Niger State, Nigeria. Afri. J. Infect. Dis., 3(2), 44-48
Curator

Record - 5 of 16 [TOP]

Compound ID

1297

Compound Structure

Plant Source

Brucea javanica (L.) Merrill syn. Rhus javanica L. Common Name:Java Brucea

Source Family

Simaroubaceae

Origin

India, China

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Positive Control Used (conc.)

Rifampin

Inhibition [%]

7 %

Activity [MIC] µg/ml

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Bruceoside D

PubChem ID

460525

Ethnomedicinal Information

Treatment of amoebic dysentery and malaria, stomach complaints

PubMed ID [Source Literature]

9332005

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Pentacyclic, Terpene, Triterpene, Quassinoid, Sugar

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

668.232

Molecular Formula

C₃₁H₄₀O₁₆

SMILES

O1C2([C@H]3[C@]4([C@@H]([C@@]5([C@@H](C[C@H]4OC(=O)[C@@H]3OC(=O)C=C(C)C)[C@@H](C(=O)C(=C5)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)C)C)[C@@H](O)[C@@H]2O)C1)C(=O)O

XLogP

-0.909

PSA

256.040

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) Rahman S, Fukamiya N, Okano M, Tagahara K, Lee KH.Anti-tuberculosis activity of quassinoids.Chem Pharm Bull (Tokyo). 1997 Sep;45(9):1527-9

2) http://www.hear.org/pier/commonnames/details/brucea_javanica.htm

Curator

Record - 6 of 16 [TOP]

Compound ID	1843
Compound Structure
Plant Source	Harrisonia abyssinica Oliv Common Name:
Source Family	Simaroubaceae
Origin	Kenya
Plant Part Used	Root
Extract	Methanol
Target Bacteria	Mycobacterium tuberculosis, Mycobacterium avium, Mycobacterium intracellulare, Mycobacterium chelonae / chelonei, Mycobacterium terrae
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
PubChem ID	NR
Ethnomedicinal Information	Tuberculosis
PubMed ID [Source Literature]	9533435
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) Fabry W, Okemo PO, Ansorg R.Antibacterial activity of East African medicinal plants.J Ethnopharmacol. 1998 Feb;60(1):79-84
Curator

Record - 7 of 16 [TOP]

Compound ID	2337
Compound Structure
Plant Source	Picramnea latifolia Tulasne Common Name:
Source Family	Simaroubaceae
Origin	Peru
Plant Part Used	Leaf, root
Extract	Dichloromethane
Target Bacteria	Mycobacterium tuberculosis (ATCC 27294)
Assay / Test Done	BACTEC 460 (Becton Dickinson Diagnostic Instrument Systems, Sparks MD) Radiometric Assay
Positive Control Used (conc.)	Rifampin (2 µg/ml), Ethambutol (7.5 µg/ml)
Inhibition [%]	< 50 %
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]	13678239
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) Graham JG, Pendland SL, Prause JL, Danzinger LH, Schunke Vigo J, Cabieses F, Farnsworth NR.Antimycobacterial evaluation of Peruvian plants.Phytomedicine. 2003;10(6-7):528-35
Curator

Record - 8 of 16 [TOP]

Compound ID	2480
Compound Structure
Plant Source	Quassia amara Common Name:Bitter Quassia, Bitterwood
Source Family	Simaroubaceae
Origin	Brazil
Plant Part Used	Bark
Extract	Chloroform
Target Bacteria	Mycobacterium tuberculosis H37Rv (ATCC 27 294)
Assay / Test Done	Microplate Alamar Blue Assay (MABA)
Positive Control Used (conc.)	Isoniazid (0.015 - 0.05 µg/ml)
Inhibition [%]	90 %
Activity [MIC] µg/ml	250 µg/ml
Activity (In terms of dilution)	1:25 dilution
Activity (Zone of inhibition in mm)
Active Compound Identified
PubChem ID	NR
Ethnomedicinal Information	Tuberculosis
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) Pavan FR, Sato DN, Higuchi CT, Santos ACB, Vilegas W, Leite CQE 2009. In vitro anti-Mycobacterium tuberculosis activity of some Brazilian "Cerrado" plants. Rev Bras Farmacogn 19: 204-206 2) http://www.flowersofindia.net/catalog/slides/Bitter%20Quassia.html
Curator

Record - 9 of 16 [TOP]

Compound ID

3715

Compound Structure

Plant Source

Harrisonia perforata Common Name:

Source Family

Simaroubaceae

Origin

Hainan, Cambodia, Cochin, China, Burma and West Malaysia

Plant Part Used

Branch

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), Kanamycin sulphate (2.0 - 5.1 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Peucenin - 7 - Methyl Ether

PubChem ID

Ethnomedicinal Information

Antimalarial activity, Tuberculosis

PubMed ID [Source Literature]

16394547

Extract Preparation

The branches of Harrisonia perforata (5.1 kg) were extracted with 95 % EtOH at room temperature. The ethanolic extract was filtered and evaporated to a dark brown viscous oil (186.3 g). The extract was partitioned between water (500 ml) and EtOAc (3 x 500 ml) and the water layer was further extracted with n-BuOH (3 x 400 ml). After evaporation, the EtOAc-, n-BuOH- and water - soluble fractions gave a brown viscous oil (69.8 g), a dark brown viscous oil (25.7 g) and a light brown viscous oil (50.8 g), respectively. The ethyl acetate soluble fraction is separated by flash column chromatography using silica gel

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Chromone, Prenylated, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

274.121

Molecular Formula

C₁₆H₁₈O₄

SMILES

C1(c(c(cc2c1c(=O)cc(o2)C)OC)CC=C(C)C)O

XLogP

1.989

PSA

46.530

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)

1) Tuntiwachwuttikul P, Phansa P, Pootaeng-On Y, Taylor WC.Chromones from the branches of Harrisonia perforata.Chem Pharm Bull (Tokyo). 2006 Jan;54(1):44-7

Curator

Vikramjitmandal, Reshmi

Record - 10 of 16 [TOP]

Compound ID

3716

Compound Structure

Plant Source

Harrisonia perforata Common Name:

Source Family

Simaroubaceae

Origin

China

Plant Part Used

Branch

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, Kanamycin sulphate (2.0 - 5.2 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

O - Methylalloptaeroxylin

PubChem ID

441968

Ethnomedicinal Information

Antimalarial activity

PubMed ID [Source Literature]

16394547

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Flavonoid, Benzopyran, Ether

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

272.105

Molecular Formula

C₁₆H₁₆O₄

SMILES

O1C(C=Cc2c1cc(OC)c1c2oc(cc1=O)C)(C)C

XLogP

2.212

PSA

35.530

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)

1) Tuntiwachwuttikul P, Phansa P, Pootaeng-On Y, Taylor WC.Chromones from the branches of Harrisonia perforata.Chem Pharm Bull (Tokyo). 2006 Jan;54(1):44-7

Curator

Vikramjitmandal, Reshmi

Record - 11 of 16 [TOP]

Compound ID

3717

Compound Structure

Plant Source

Harrisonia perforata Common Name:

Source Family

Simaroubaceae

Origin

Hainan, Cambodia, Cochin, China, Burma and West Malaysia

Plant Part Used

Branch

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), Kanamycin sulphate (2.0 - 5.3 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Perforamone A

PubChem ID

11572850

Ethnomedicinal Information

Antimalarial activity

PubMed ID [Source Literature]

16394547

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Chromone, Epoxy, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

290.115

Molecular Formula

C₁₆H₁₈O₅

SMILES

O1C(C1Cc1c2oc(cc(=O)c2c(O)cc1OC)C)(C)C

XLogP

1.056

PSA

59.060

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)

1) Tuntiwachwuttikul P, Phansa P, Pootaeng-On Y, Taylor WC.Chromones from the branches of Harrisonia perforata.Chem Pharm Bull (Tokyo). 2006 Jan;54(1):44-7

Curator

Vikramjitmandal, Reshmi

Record - 12 of 16 [TOP]

Compound ID

3718

Compound Structure

Plant Source

Harrisonia perforata Common Name:

Source Family

Simaroubaceae

Origin

Hainan, Cambodia, Cochin, China, Burma and West Malaysia

Plant Part Used

Branch

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), Kanamycin sulphate (2.0 - 5.4 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Perforamone B

PubChem ID

11608981

Ethnomedicinal Information

Antimalarial activity

PubMed ID [Source Literature]

16394547

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Chromone, Ether, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

290.115

Molecular Formula

C₁₆H₁₈O₅

SMILES

O1c2c(C(O)CC(=C)C)c(OC)cc(O)c2c(=O)cc1C

XLogP

0.558

PSA

66.760

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) Tuntiwachwuttikul P, Phansa P, Pootaeng-On Y, Taylor WC.Chromones from the branches of Harrisonia perforata.Chem Pharm Bull (Tokyo). 2006 Jan;54(1):44-7

Curator

Vikramjitmandal, Reshmi

Record - 13 of 16 [TOP]

Compound ID

3719

Compound Structure

Plant Source

Harrisonia perforata Common Name:

Source Family

Simaroubaceae

Origin

China

Plant Part Used

Branch

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), Kanamycin sulphate (2.0 - 5.5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

200 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Perforamone C

PubChem ID

Ethnomedicinal Information

Antimalarial activity

PubMed ID [Source Literature]

16394547

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Chromone, Ether, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

290.115

Molecular Formula

C₁₆H₁₈O₅

SMILES

C1(cc(c(c2c1c(=O)cc(o2)C)CC(C(=C)C)O)OC)O

XLogP

0.756

PSA

66.760

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) Tuntiwachwuttikul P, Phansa P, Pootaeng-On Y, Taylor WC.Chromones from the branches of Harrisonia perforata.Chem Pharm Bull (Tokyo). 2006 Jan;54(1):44-7

Curator

Vikramjitmandal, Reshmi

Record - 14 of 16 [TOP]

Compound ID

3720

Compound Structure

Plant Source

Harrisonia perforata Common Name:

Source Family

Simaroubaceae

Origin

China

Plant Part Used

Branch

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 - 5.6 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Eugenin

PubChem ID

10189

Ethnomedicinal Information

Antimalarial activity

PubMed ID [Source Literature]

16394547

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Chromone, Ether, Phenol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

206.058

Molecular Formula

C₁₁H₁₀O₄

SMILES

O1c2c(c(O)cc(OC)c2)c(=O)cc1C

XLogP

0.495

PSA

46.530

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)

1) Tuntiwachwuttikul P, Phansa P, Pootaeng-On Y, Taylor WC.Chromones from the branches of Harrisonia perforata.Chem Pharm Bull (Tokyo). 2006 Jan;54(1):44-7

Curator

Vikramjitmandal, Reshmi

Record - 15 of 16 [TOP]

Compound ID

3721

Compound Structure

Plant Source

Harrisonia perforata Common Name:

Source Family

Simaroubaceae

Origin

China

Plant Part Used

Branch

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 - 5.7 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

25 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Perforamone D

PubChem ID

Ethnomedicinal Information

Antimalarial activity

PubMed ID [Source Literature]

16394547

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Chromone, Benzopyran, Phenol, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

274.084

Molecular Formula

C₁₅H₁₄O₅

SMILES

C12OC(C=Cc1c1c(c(c2)O)c(=O)cc(o1)CO)(C)C

XLogP

0.339

PSA

66.760

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) Tuntiwachwuttikul P, Phansa P, Pootaeng-On Y, Taylor WC.Chromones from the branches of Harrisonia perforata.Chem Pharm Bull (Tokyo). 2006 Jan;54(1):44-7

Curator

Vikramjitmandal, Reshmi

Record - 16 of 16 [TOP]

Compound ID

3722

Compound Structure

Plant Source

Harrisonia perforata Common Name:

Source Family

Simaroubaceae

Origin

Hainan, Cambodia, Cochin, China, Burma and West Malaysia

Plant Part Used

Branch

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 - 5.8 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Greveichromenol

PubChem ID

Ethnomedicinal Information

Antimalarial activity, Tuberculosis

PubMed ID [Source Literature]

16394547

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Flavonoid, Benzopyran, Phenol, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

274.084

Molecular Formula

C₁₅H₁₄O₅

SMILES

O1c(cc(=O)c2c1cc1c(c2O)C=CC(O1)(C)C)CO

XLogP

0.339

PSA

66.760

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) Tuntiwachwuttikul P, Phansa P, Pootaeng-On Y, Taylor WC.Chromones from the branches of Harrisonia perforata.Chem Pharm Bull (Tokyo). 2006 Jan;54(1):44-7

Curator

Vikramjitmandal, Reshmi

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