BioPhytMol: A database of Phytomolecules against Mycobacteria

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Page - 1 of 2 Record - 1 of 26 [TOP]

Compound ID

2298

Compound Structure

Plant Source

Pedilanthus tithymaloides Common Name:Devil's Backbone, Zigzag Plant, Jacob's Ladder

Source Family

Euphorbiaceae

Origin

Thailand, Tropical America

Plant Part Used

Milky juice or latex

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.1 µg/ml), Kanamycin (2.5 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

1α, 13β, 14α - trihydroxy - 3β, 7β - dibenzoyloxy - 9β, 15β - diacetoxyjatropha - 5, 11 E - diene

PubChem ID

23642402

Ethnomedicinal Information

Anti - inflammatory, antioxidant, anti - malaria

PubMed ID [Source Literature]

17844996

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Diterpene, Jatrophane, Benzoyl, Acetyl

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

678.304

Molecular Formula

C₃₈H₄₆O₁₁

SMILES

O([C@@]12[C@H]([C@@H](OC(=O)c3ccccc3)[C@H]([C@@H]1O)C)/C=C([C@H](OC(=O)c1ccccc1)C[C@H](OC(=O)C)C(/C=C/[C@](O)([C@H]2O)C)(C)C)/C)C(=O)C

XLogP

6.947

PSA

165.890

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) Mongkolvisut W, Sutthivaiyakit S.Antimalarial and antituberculous poly-O-acylated jatrophane diterpenoids from Pedilanthus tithymaloides.J Nat Prod. 2007 Sep;70(9):1434-8

2) http://www.flowersofIndia.net/catalog/slides/Devil%27s%20Backbone.html

Curator

Record - 2 of 26 [TOP]

Compound ID

2299

Compound Structure

Plant Source

Pedilanthus tithymaloides Common Name:Devil's Backbone, Zigzag Plant, Jacob's Ladder

Source Family

Euphorbiaceae

Origin

Thailand, Tropical America

Plant Part Used

Milky juice or latex

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.1 µg/ml), Kanamycin (2.5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

1α, 7β, 13β, 14α - tetrahydroxy - 3β - benzoyloxy - 9β, 15β - diacetoxyjatropha - 5,11 E - diene

PubChem ID

23642403

Ethnomedicinal Information

Anti - inflammatory, antioxidant, anti - malaria

PubMed ID [Source Literature]

17844996

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Diterpene, Jatrophane, Benzoyl, Acetyl, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

574.278

Molecular Formula

C₃₁H₄₂O₁₀

SMILES

O([C@@]12[C@H]([C@@H](OC(=O)c3ccccc3)[C@H]([C@@H]1O)C)/C=C([C@H](O)C[C@H](OC(=O)C)C(/C=C/[C@](O)([C@H]2O)C)(C)C)/C)C(=O)C

XLogP

3.461

PSA

159.820

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 26 [TOP]

Compound ID

2300

Compound Structure

Plant Source

Pedilanthus tithymaloides Common Name:Devil's Backbone, Zigzag Plant, Jacob's Ladder

Source Family

Euphorbiaceae

Origin

Thailand, Tropical America

Plant Part Used

Milky juice or latex

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.1 µg/ml), Kanamycin (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

1α, 8β, 9β, 14α, 15β - pentaacetoxy - 3β - benzoyloxy - 7 - oxojatropha - 5, 12 - diene

PubChem ID

23642498

Ethnomedicinal Information

Anti - inflammatory, antioxidant, anti - malaria

PubMed ID [Source Literature]

17844996

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Diterpene, Jatrophane, Ketone, Benzoyl, Acetyl

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

698.294

Molecular Formula

C₃₇H₄₆O₁₃

SMILES

O([C@@]12[C@H]([C@@H](OC(=O)c3ccccc3)[C@H]([C@@H]1OC(=O)C)C)/C=C(C(=O)[C@H](OC(=O)C)[C@H](OC(=O)C)C(C/C=C(/[C@H]2OC(=O)C)C)(C)C)/C)C(=O)C

XLogP

5.514

PSA

174.870

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 26 [TOP]

Compound ID

2301

Compound Structure

Plant Source

Pedilanthus tithymaloides Common Name:Devil's Backbone, Zigzag Plant, Jacob's Ladder

Source Family

Euphorbiaceae

Origin

Thailand,Tropical America

Plant Part Used

Milky juice or latex

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.1 µg/ml), Kanamycin (2.5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

100 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

7, 8β, 9β, 14α, 15β - Pentaacetoxy - 3β - benzoyloxy - 1α, 5β - dihydroxyjatropha - 6 (7), 12 - diene

PubChem ID

23642499

Ethnomedicinal Information

Anti - inflammatory, antioxidant, anti - malaria

PubMed ID [Source Literature]

17844996

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Diterpene, Jatrophane, Benzoyl, Acetyl, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

716.304

Molecular Formula

C₃₇H₄₈O₁₄

SMILES

O([C@@]12[C@H]([C@@H](OC(=O)c3ccccc3)[C@H]([C@@H]1O)C)[C@H](O)/C(=C(/OC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)C(C/C=C(/[C@H]2OC(=O)C)C)(C)C)/C)C(=O)C

XLogP

4.498

PSA

198.260

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

Record - 5 of 26 [TOP]

Compound ID

2302

Compound Structure

Plant Source

Pedilanthus tithymaloides Common Name:Devil's Backbone, Zigzag Plant, Jacob's Ladder

Source Family

Euphorbiaceae

Origin

Thailand,Tropical America

Plant Part Used

Milky juice or latex

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.1 µg/ml), Kanamycin (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

1α, 7, 8β, 9β, 14α, 15β - Hexaacetoxy - 3β - benzoyloxy - 5β - hydroxyjatropha - 6 (7), 12 - diene

PubChem ID

23642500

Ethnomedicinal Information

Anti - inflammatory, antioxidant, anti - malaria

PubMed ID [Source Literature]

17844996

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Diterpene, Jatrophane, Benzoyl, Acetyl, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

758.315

Molecular Formula

C₃₉H₅₀O₁₅

SMILES

O([C@@]12[C@H]([C@@H](OC(=O)c3ccccc3)[C@H]([C@@H]1OC(=O)C)C)[C@H](O)/C(=C(/OC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)C(C/C=C(/[C@H]2OC(=O)C)C)(C)C)/C)C(=O)C

XLogP

5.238

PSA

204.330

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 26 [TOP]

Compound ID

2562

Compound Structure

Plant Source

Sapium indicum L. Common Name:Huma (English)

Source Family

Euphorbiaceae

Origin

India

Plant Part Used

Fruit

Extract

Hexane

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.040 – 0.090 µg/ml), Kanamycin sulphate (2 – 5 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

3.12 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Sapintoxin A

PubChem ID

108085

Ethnomedicinal Information

Purgative, insanity, poisonous in nature, intoxicating fish

PubMed ID [Source Literature]

12713411

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Terpene, Diterpene, Phorbol, Acetyl, Benzoyl

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

523.257

Molecular Formula

C₃₀H₃₇NO₇

SMILES

O([C@@]12[C@@H](C1(C)C)[C@H]1[C@](O)([C@@H]([C@H]2OC(=O)c2c(NC)cccc2)C)[C@H]2[C@H](CC(=C1)CO)C(=O)C(=C2)C)C(=O)C

XLogP

2.630

PSA

122.160

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) Chumkaew P, Karalai C, Ponglimanont C, Chantrapromma K. Antimycobacterial activity of phorbol esters from the fruits of Sapium indicum. J Nat Prod. 2003 Apr;66(4):540-3

2) Kirtikar, K.R., Basu, B.D., 1935. Indian Medicinal Plants, vols. 1–4. Lalit Mohan Basu, Allahabad, India

Curator

Record - 7 of 26 [TOP]

Compound ID

2563

Compound Structure

Plant Source

Sapium indicum L. Common Name:Huma (English)

Source Family

Euphorbiaceae

Origin

India

Plant Part Used

Fruit

Extract

Hexane

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.040 – 0.090 µg/ml), Kanamycin sulphate (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

Sapintoxin C

PubChem ID

157367

Ethnomedicinal Information

Purgative, insanity, poisonous in nature, intoxicating fish

PubMed ID [Source Literature]

12713411

Extract Preparation

N/A

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Terpene, Diterpene, Benzoyl, Acetyl, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

N/A

Cytotoxicity Assay [AID]

N/A

Molecular Weight

523.257

Molecular Formula

C₃₀H₃₇NO₇

SMILES

O([C@@]12[C@@H](C1(C)C)[C@H]1[C@](O)([C@@H]([C@H]2OC(=O)c2c(NC)cccc2)C)[C@H]2[C@H]([C@H](O)C(=C1)C)C(=O)C(=C2)C)C(=O)C

XLogP

2.903

PSA

122.160

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 26 [TOP]

Compound ID

3078

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium fortuitum (ATCC 6841)

Assay / Test Done

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

E - ω - Benzoyloxyferulenol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol, Benzoyl

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

486.241

Molecular Formula

C₃₁H₃₄O₅

SMILES

C1ccc2c(c1)c(c(c(=O)o2)C/C=C(/CC/C=C(/CC/C=C(/COC(=O)c1ccccc1)C)C)C)O

XLogP

8.550

PSA

63.600

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) Appendino G, Mercalli E, Fuzzati N, Arnoldi L, Stavri M, Gibbons S, Ballero M, Maxia A.Antimycobacterial coumarins from the sardinian giant fennel (Ferula communis).J Nat Prod. 2004 Dec;67(12):2108-10

Curator

Vikramjitmandal

Record - 9 of 26 [TOP]

Compound ID

3079

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium phlei (ATCC 11758)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (2 µg/ml), Isoniazid (4 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

E - ω - Benzoyloxyferulenol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol, Benzoyl

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

486.241

Molecular Formula

C₃₁H₃₄O₅

SMILES

C1ccc2c(c1)c(c(c(=O)o2)C/C=C(/CC/C=C(/CC/C=C(/COC(=O)c1ccccc1)C)C)C)O

XLogP

8.550

PSA

63.600

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

Record - 10 of 26 [TOP]

Compound ID

3080

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium aurum (Pasteur Institute 104482)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (0.5 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

E - ω - Benzoyloxyferulenol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol, Benzoyl

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

486.241

Molecular Formula

C₃₁H₃₄O₅

SMILES

C1ccc2c(c1)c(c(c(=O)o2)C/C=C(/CC/C=C(/CC/C=C(/COC(=O)c1ccccc1)C)C)C)O

XLogP

8.550

PSA

63.600

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

Record - 11 of 26 [TOP]

Compound ID

3081

Compound Structure

Plant Source

Ferula communis L. Common Name:Giant Fennel

Source Family

Apiaceae (Umbelliferae)

Origin

Cagliari, Sardinia, Italy

Plant Part Used

Root

Extract

Acetone

Target Bacteria

Mycobacterium smegmatis (ATCC 144680)

Assay / Test Done

Positive Control Used (conc.)

Ethambutol (0.5 µg/ml), Isoniazid (1 µg/ml)

Inhibition [%]

Activity [MIC] µg/ml

2 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

E - ω - Benzoyloxyferulenol

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

15620264

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Bicyclic, Alkyl, Alkene, Coumarin, Prenylated, Phenol, Benzoyl

Media / Broth Used [Antimicrobial Assay/Test]

Mueller - Hinton Broth

Cytotoxicity Assay [AID]

Molecular Weight

486.241

Molecular Formula

C₃₁H₃₄O₅

SMILES

C1ccc2c(c1)c(c(c(=O)o2)C/C=C(/CC/C=C(/CC/C=C(/COC(=O)c1ccccc1)C)C)C)O

XLogP

8.550

PSA

63.600

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

Record - 12 of 26 [TOP]

Compound ID

3225

Compound Structure

Plant Source

Ceasalpinia pulcherrima (L.) Sw. Common Name:Barbados Pride (English), Padangam, Ratnagandhi, Krishnachuudaa (Sanskrit)

Source Family

Caesalpiniaceae

Origin

India

Plant Part Used

Root

Extract

Dichloromethane

Target Bacteria

Mycobacterium tuberculosis

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.040 - 0.090 µg/ml), Kanamycin sulphate (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

6β - Benzoyl - 7β - Hydroxyvouacapen - 5 α - Ol

PubChem ID

3009285

Ethnomedicinal Information

Bronchitis, asthma

PubMed ID [Source Literature]

14531033

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Terpene, Diterpene, Furanoid, Benzoyl, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Against KB, BC, NCI - H187 cell lines

Molecular Weight

438.241

Molecular Formula

C₂₇H₃₄O₅

SMILES

O[C@]12[C@@]([C@@H]3[C@@H]([C@@H](O)[C@H]1OC(=O)c1ccccc1)[C@H](c1c(occ1)C3)C)(CCCC2(C)C)C

XLogP

6.265

PSA

79.900

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) 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) Chopra, R.N., Nayar, S.L., Chopra, R.C., 1956. Glossary of Indian Medicinal Plants. Council of Scientific and Industrial Research, New Delhi, India

Curator

Farzana-shamsudeen, vikramjitmandal

Record - 13 of 26 [TOP]

Compound ID

3560

Compound Structure

Plant Source

Sapium indicum L. Common Name:Huma (English)

Source Family

Euphorbiaceae

Origin

India

Plant Part Used

Fruit

Extract

Hexane

Target Bacteria

Mycobacterium tuberculosis H37Ra

Assay / Test Done

Microplate Alamar Blue Assay (MABA)

Positive Control Used (conc.)

Isoniazid (0.040 - 0.090 µg/ml), Kanamycin sulphate (2 – 5 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

Sapintoxin B

PubChem ID

157762

Ethnomedicinal Information

Purgative, insanity, poisonous in nature, intoxicating fish

PubMed ID [Source Literature]

12713411

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tetracyclic, Terpene, Diterpene, Benzoyl, Acetyl, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

539.252

Molecular Formula

C₃₀H₃₇NO₈

SMILES

O([C@@]12[C@@H](C1(C)C)[C@H]1[C@](O)([C@@H]([C@H]2OC(=O)c2c(NC)cccc2)C)[C@H]2[C@H]([C@H](O)C(=C1)CO)C(=O)C(=C2)C)C(=O)C

XLogP

2.295

PSA

142.390

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) Chumkaew P, Karalai C, Ponglimanont C, Chantrapromma K.Antimycobacterial activity of phorbol esters from the fruits of Sapium indicum.J Nat Prod. 2003 Apr;66(4):540-3

Curator

Rachana, vikramjitmandal

Record - 14 of 26 [TOP]

Compound ID

3995

Compound Structure

Plant Source

Microtropis japonica Common Name:

Source Family

Celastraceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

27 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

15-acetoxyorbiculin

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Sesquiterpene, Furanoid, Benzoyl, O-Acetyl

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

684.257

Molecular Formula

C₃₉H₄₀O₁₁

SMILES

O=C(c1ccccc1)O[C@H]1[C@]23[C@H](C)C[C@H](OC(=O)c4ccccc4)[C@H](OC(=O)C)[C@@]2(OC(=O)C)[C@@H](OC(=O)c2ccccc2)C[C@H]1C(C)(C)O3

XLogP

10.473

PSA

140.730

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) 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 - 15 of 26 [TOP]

Compound ID

3996

Compound Structure

Plant Source

Microtropis japonica Common Name:

Source Family

Celastraceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

15 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Salasol A

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Sesquiterpene, Furanoid, Benzoyl, O-Acetyl

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

518.215

Molecular Formula

C₂₇H₃₄O₁₀

SMILES

O=C(C)O[C@H]1[C@]23[C@H](C)C[C@H](OC(=O)C)[C@H](O)[C@@]2(OC(=O)C)[C@@H](OC(=O)c2ccccc2)C[C@H]1C(C)(C)O3

XLogP

4.241

PSA

134.660

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 26 [TOP]

Compound ID

3997

Compound Structure

Plant Source

Microtropis japonica Common Name:

Source Family

Celastraceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis H37Rv

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

Celahin C

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Sesquiterpene, Furanoid, Benzoyl, O-Acetyl

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

518.215

Molecular Formula

C₂₇H₃₄O₁₀

SMILES

O=C(C)O[C@H]1[C@]23[C@H](C)C[C@H](O)[C@H](OC(=O)C)[C@@]2(OC(=O)C)[C@@H](OC(=O)c2ccccc2)C[C@H]1C(C)(C)O3

XLogP

4.241

PSA

134.660

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 - 17 of 26 [TOP]

Compound ID

3998

Compound Structure

Plant Source

Microtropis fokienensis Common Name:

Source Family

Celastraceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis (90-221387)

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

EJMC4

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Sesquiterpene, Furanoid, Benzoyl, O-Acetyl

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

642.246

Molecular Formula

C₃₇H₃₈O₁₀

SMILES

O=C(c1ccccc1)O[C@H]1[C@]23[C@H](C)C[C@H](O)[C@H](OC(=O)C)[C@@]2(OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C[C@H]1C(C)(C)O3

XLogP

9.733

PSA

134.660

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 - 18 of 26 [TOP]

Compound ID

3999

Compound Structure

Plant Source

Microtropis fokienensis Common Name:

Source Family

Celastraceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis (90-221387)

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

10 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

EJMC5

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Sesquiterpene, Furanoid, Benzoyl, O-Acetyl

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

642.246

Molecular Formula

C₃₇H₃₈O₁₀

SMILES

O=C(c1ccccc1)O[C@H]1[C@]23[C@H](C)C[C@H](OC(=O)C)[C@H](O)[C@@]2(OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C[C@H]1C(C)(C)O3

XLogP

9.733

PSA

134.660

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 - 19 of 26 [TOP]

Compound ID

4000

Compound Structure

Plant Source

Microtropis fokienensis Common Name:

Source Family

Celastraceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis (90-221387)

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

32 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Mutangin

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Sesquiterpene, Furanoid, Benzoyl, O-Acetyl

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

622.241

Molecular Formula

C₃₄H₃₈O₁₁

SMILES

O=C(C)O[C@H]1[C@]23[C@H](C)C[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@]2(OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C[C@H]1C(C)(C)O3

XLogP

7.727

PSA

140.730

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 - 20 of 26 [TOP]

Compound ID

4001

Compound Structure

Plant Source

Microtropis fokienensis Common Name:

Source Family

Celastraceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis (90-221387)

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

9.3 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Orbiculin G

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Sesquiterpene, Furanoid, Benzoyl, O-Acetyl

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

640.267

Molecular Formula

C₃₈H₄₀O₉

SMILES

O=C(c1ccccc1)O[C@H]1[C@]23[C@H](C)C[C@H](OC(=O)c4ccccc4)[C@H](OC(=O)C)[C@@]2(C)[C@@H](OC(=O)c2ccccc2)C[C@H]1C(C)(C)O3

XLogP

11.038

PSA

114.430

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 - 21 of 26 [TOP]

Compound ID

4002

Compound Structure

Plant Source

Microtropis fokienensis Common Name:

Source Family

Celastraceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis (90-221387)

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

11 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

Triptogelin G-2

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Sesquiterpene, Furanoid, Benzoyl, O-Acetyl

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

428.256

Molecular Formula

C₂₆H₃₆O₅

SMILES

C[C@H]1[C@]23[C@H](C)C[C@H](C)[C@H](OC(=O)C)[C@@]2(C)[C@@H](OC(=O)c2ccccc2)C[C@H]1C(C)(C)O3

XLogP

6.720

PSA

61.830

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 26 [TOP]

Compound ID

4019

Compound Structure

Plant Source

Plectranthus grandidentatus Common Name:

Source Family

Lamiaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis (MDR strain)

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

0.39 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

EJMC36

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Tricyclic, Terpene, Diterpene, Quinone, Benzoyl, O-Acetyl

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

524.241

Molecular Formula

C₃₀H₃₆O₈

SMILES

C[C@@]12[C@H](C(C)(CCC1)C)[C@H](O)[C@H](C1=C2C(=O)C(=C(C1=O)C(C)C)OC(=O)c1ccc(OC)cc1)OC(=O)C

XLogP

5.299

PSA

116.200

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 - 23 of 26 [TOP]

Compound ID

4020

Compound Structure

Plant Source

Plectranthus grandidentatus Common Name:

Source Family

Lamiaceae

Origin

Plant Part Used

Extract

Target Bacteria

Mycobacterium tuberculosis (MDR strain)

Assay / Test Done

Positive Control Used (conc.)

Inhibition [%]

Activity [MIC] µg/ml

0.78 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

EJMC37

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Aromatic, Tricyclic, Terpene, Diterpene, Quinone, Haloginated, Benzoyl, O-Acetyl

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

528.191

Molecular Formula

C₂₉H₃₃ClO₇

SMILES

C[C@@]12[C@H](C(C)(CCC1)C)[C@H](O)[C@H](C1=C2C(=O)C(=C(C1=O)C(C)C)OC(=O)c1ccc(Cl)cc1)OC(=O)C

XLogP

5.839

PSA

106.970

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 - 24 of 26 [TOP]

Compound ID

4029

Compound Structure

Plant Source

Pedilanthus tithymaloides 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

12.5 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

EJMC48

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Diterpene, Jatrophane, Benzoyl, Acetyl, Alcohol

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

678.304

Molecular Formula

C₃₈H₄₆O₁₁

SMILES

C[C@@H]1[C@H](OC(=O)c2ccccc2)[C@H]2[C@@]([C@H]1O)(OC(=O)C)[C@H]([C@@](/C=CC([C@H](C[C@H](/C(=C2)/C)OC(=O)c1ccccc1)OC(=O)C)(C)C)(C)O)O

XLogP

6.947

PSA

165.890

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 - 25 of 26 [TOP]

Compound ID

4030

Compound Structure

Plant Source

Pedilanthus tithymaloides 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

50 µg/ml

Activity (In terms of dilution)

Activity (Zone of inhibition in mm)

Active Compound Identified

EJMC49

PubChem ID

Ethnomedicinal Information

PubMed ID [Source Literature]

Extract Preparation

Chemical Classification [Active Compound]

Alicyclic, Bicyclic, Terpene, Diterpene, Jatrophane, Benzoyl, Acetyl

Media / Broth Used [Antimicrobial Assay/Test]

Cytotoxicity Assay [AID]

Molecular Weight

698.294

Molecular Formula

C₃₇H₄₆O₁₃

SMILES

C[C@@H]1[C@H](OC(=O)c2ccccc2)[C@H]2[C@]([C@H]1OC(=O)C)([C@@H](OC(=O)C)/C(=CCC(C)(C)[C@@H](OC(=O)C)[C@@H](OC(=O)C)C(=O)/C(=C2)/C)/C)OC(=O)C

XLogP

5.514

PSA

174.870

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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