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                  Page - 1 of 1                  Record - 1 of 8   [TOP]
Compound ID2298
Compound Structure
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Plant SourcePedilanthus tithymaloides     Common Name:Devil's Backbone, Zigzag Plant, Jacob's Ladder
Source FamilyEuphorbiaceae
OriginThailand, Tropical America
Plant Part UsedMilky juice or latex
ExtractDichloromethane
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test DoneMicroplate Alamar Blue Assay (MABA)
Positive Control Used (conc.)Isoniazid (0.1 µg/ml), Kanamycin (2.5 µg/ml)
Inhibition [%]
Activity [MIC] µg/ml12.5 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified1α, 13β, 14α - trihydroxy - 3β, 7β - dibenzoyloxy - 9β, 15β - diacetoxyjatropha - 5, 11 E - diene
PubChem ID   23642402
Ethnomedicinal InformationAnti - inflammatory, antioxidant, anti - malaria
PubMed ID [Source Literature]17844996
Extract PreparationN/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 Weight678.304
Molecular FormulaC38H46O11
SMILESO([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
XLogP6.947
PSA165.890
H-bond Donor3
H-bond Acceptor11
No. of Rotatable Bond Count10
No. of Rings4
No. of N0
No. of O11
No. of S0
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 8   [TOP]
Compound ID2299
Compound Structure
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Plant SourcePedilanthus tithymaloides     Common Name:Devil's Backbone, Zigzag Plant, Jacob's Ladder
Source FamilyEuphorbiaceae
OriginThailand, Tropical America
Plant Part UsedMilky juice or latex
ExtractDichloromethane
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test DoneMicroplate Alamar Blue Assay (MABA)
Positive Control Used (conc.)Isoniazid (0.1 µg/ml), Kanamycin (2.5 µg/ml)
Inhibition [%]
Activity [MIC] µg/ml100 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified1α, 7β, 13β, 14α - tetrahydroxy - 3β - benzoyloxy - 9β, 15β - diacetoxyjatropha - 5,11 E - diene
PubChem ID   23642403
Ethnomedicinal InformationAnti - inflammatory, antioxidant, anti - malaria
PubMed ID [Source Literature]17844996
Extract PreparationN/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 Weight574.278
Molecular FormulaC31H42O10
SMILESO([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
XLogP3.461
PSA159.820
H-bond Donor4
H-bond Acceptor10
No. of Rotatable Bond Count7
No. of Rings3
No. of N0
No. of O10
No. of S0
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 - 3 of 8   [TOP]
Compound ID2300
Compound Structure
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Plant SourcePedilanthus tithymaloides     Common Name:Devil's Backbone, Zigzag Plant, Jacob's Ladder
Source FamilyEuphorbiaceae
OriginThailand, Tropical America
Plant Part UsedMilky juice or latex
ExtractDichloromethane
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test DoneMicroplate Alamar Blue Assay (MABA)
Positive Control Used (conc.)Isoniazid (0.1 µg/ml), Kanamycin (2.5 µg/ml)
Inhibition [%]
Activity [MIC] µg/ml50 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified1α, 8β, 9β, 14α, 15β - pentaacetoxy - 3β - benzoyloxy - 7 - oxojatropha - 5, 12 - diene
PubChem ID   23642498
Ethnomedicinal InformationAnti - inflammatory, antioxidant, anti - malaria
PubMed ID [Source Literature]17844996
Extract PreparationN/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 Weight698.294
Molecular FormulaC37H46O13
SMILESO([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
XLogP5.514
PSA174.870
H-bond Donor0
H-bond Acceptor13
No. of Rotatable Bond Count13
No. of Rings3
No. of N0
No. of O13
No. of S0
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 - 4 of 8   [TOP]
Compound ID2301
Compound Structure
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Plant SourcePedilanthus tithymaloides     Common Name:Devil's Backbone, Zigzag Plant, Jacob's Ladder
Source FamilyEuphorbiaceae
OriginThailand,Tropical America
Plant Part UsedMilky juice or latex
ExtractDichloromethane
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test DoneMicroplate Alamar Blue Assay (MABA)
Positive Control Used (conc.)Isoniazid (0.1 µg/ml), Kanamycin (2.5 µg/ml)
Inhibition [%]
Activity [MIC] µg/ml100 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified7, 8β, 9β, 14α, 15β - Pentaacetoxy - 3β - benzoyloxy - 1α, 5β - dihydroxyjatropha - 6 (7), 12 - diene
PubChem ID   23642499
Ethnomedicinal InformationAnti - inflammatory, antioxidant, anti - malaria
PubMed ID [Source Literature]17844996
Extract PreparationN/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 Weight716.304
Molecular FormulaC37H48O14
SMILESO([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
XLogP4.498
PSA198.260
H-bond Donor2
H-bond Acceptor14
No. of Rotatable Bond Count13
No. of Rings3
No. of N0
No. of O14
No. of S0
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 - 5 of 8   [TOP]
Compound ID2302
Compound Structure
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Plant SourcePedilanthus tithymaloides     Common Name:Devil's Backbone, Zigzag Plant, Jacob's Ladder
Source FamilyEuphorbiaceae
OriginThailand,Tropical America
Plant Part UsedMilky juice or latex
ExtractDichloromethane
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test DoneMicroplate Alamar Blue Assay (MABA)
Positive Control Used (conc.)Isoniazid (0.1 µg/ml), Kanamycin (2.5 µg/ml)
Inhibition [%]
Activity [MIC] µg/ml50 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified1α, 7, 8β, 9β, 14α, 15β - Hexaacetoxy - 3β - benzoyloxy - 5β - hydroxyjatropha - 6 (7), 12 - diene
PubChem ID   23642500
Ethnomedicinal InformationAnti - inflammatory, antioxidant, anti - malaria
PubMed ID [Source Literature]17844996
Extract PreparationN/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 Weight758.315
Molecular FormulaC39H50O15
SMILESO([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
XLogP5.238
PSA204.330
H-bond Donor1
H-bond Acceptor15
No. of Rotatable Bond Count15
No. of Rings3
No. of N0
No. of O15
No. of S0
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 - 6 of 8   [TOP]
Compound ID4029
Compound Structure
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Plant SourcePedilanthus tithymaloides     Common Name:
Source FamilyEuphorbiaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml12.5 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedEJMC48
PubChem IDNR
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 Weight678.304
Molecular FormulaC38H46O11
SMILESC[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
XLogP6.947
PSA165.890
H-bond Donor3
H-bond Acceptor11
No. of Rotatable Bond Count10
No. of Rings4
No. of N0
No. of O11
No. of S0
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 - 7 of 8   [TOP]
Compound ID4030
Compound Structure
DOWNLOAD:
Plant SourcePedilanthus tithymaloides     Common Name:
Source FamilyEuphorbiaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml50 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedEJMC49
PubChem IDNR
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 Weight698.294
Molecular FormulaC37H46O13
SMILESC[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
XLogP5.514
PSA174.870
H-bond Donor0
H-bond Acceptor13
No. of Rotatable Bond Count13
No. of Rings3
No. of N0
No. of O13
No. of S0
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 - 8 of 8   [TOP]
Compound ID4031
Compound Structure
DOWNLOAD:
Plant SourcePedilanthus tithymaloides     Common Name:
Source FamilyEuphorbiaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml50 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedEJMC50
PubChem IDNR
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 Weight758.315
Molecular FormulaC39H50O15
SMILESC[C@@H]1[C@H](OC(=O)c2ccccc2)[C@H]2[C@@]([C@H]1OC(=O)C)(OC(=O)C)[C@H](/C(=CCC([C@H]([C@H](/C(=C([C@H]2O)/C)/OC(=O)C)OC(=O)C)OC(=O)C)(C)C)/C)OC(=O)C
XLogP5.238
PSA204.330
H-bond Donor1
H-bond Acceptor15
No. of Rotatable Bond Count15
No. of Rings3
No. of N0
No. of O15
No. of S0
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


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