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                  Page - 1 of 1                  Record - 1 of 8   [TOP]
Compound ID3752
Compound Structure
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Plant SourceDerris indica (Lam.) Bennet     Common Name:
Source FamilyFabaceae
OriginSoutheast Asia and Pacific Islands
Plant Part UsedRoot, stem
ExtractHexane
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test DoneMicroplate Alamar Blue Assay (MABA)
Positive Control Used (conc.)Isoniazid (0.040 – 0.090 µg/ml), Kanamycin sulfate (2.0 – 5.0 µg/ml)
Inhibition [%]
Activity [MIC] µg/ml6.25 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified3,4-Methylenedioxy-10-methoxy-7-oxo[2]benzopyrano[4,3-b]benzopyran
PubChem ID   11515333
Ethnomedicinal Information
PubMed ID [Source Literature]16730034
Extract PreparationExtracted the stem and root parts with hexane and dichloromethane and purified with column chromatography
Chemical Classification [Active Compound]Aromatic, Tetracyclic, Xanthanoid, Benzopyran, Ether
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight324.063
Molecular FormulaC18H12O6
SMILESO1Cc2c(c3oc4c(c(=O)c13)ccc(OC)c4)cc1OCOc1c2
XLogP2.156
PSA53.990
H-bond Donor0
H-bond Acceptor5
No. of Rotatable Bond Count1
No. of Rings5
No. of N0
No. of O6
No. of S0
Reference(s)1) Koysomboon S, van Altena I, Kato S, Chantrapromma K.Antimycobacterial flavonoids from Derris indica.Phytochemistry. 2006 May;67(10):1034-40

CuratorVsheeba, vikramjitmandal

                  Record - 2 of 8   [TOP]
Compound ID3753
Compound Structure
DOWNLOAD:
Plant SourceDerris indica (Lam.) Bennet     Common Name:
Source FamilyFabaceae
OriginSoutheast Asia and Pacific Islands
Plant Part UsedRoot, stem
Extract
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test DoneMicroplate Alamar Blue Assay (MABA)
Positive Control Used (conc.)Isoniazid (0.040 – 0.090 µg/ml), Kanamycin sulfate (2.0 – 5.0 µg/ml)
Inhibition [%]
Activity [MIC] µg/ml12.5 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedKaranjachromene
PubChem ID   14033983
Ethnomedicinal Information
PubMed ID [Source Literature]16730034
Extract PreparationExtracted the stem and root parts with hexane and dichloromethane and purified with column chromatography
Chemical Classification [Active Compound]Aromatic, Tetracyclic, Flavonoid, Benzopyran, Ether
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight334.121
Molecular FormulaC21H18O4
SMILESO1C(C=Cc2c1ccc1c2oc(c(OC)c1=O)c1ccccc1)(C)C
XLogP5.445
PSA35.530
H-bond Donor0
H-bond Acceptor3
No. of Rotatable Bond Count2
No. of Rings4
No. of N0
No. of O4
No. of S0
Reference(s)1) Koysomboon S, van Altena I, Kato S, Chantrapromma K.Antimycobacterial flavonoids from Derris indica.Phytochemistry. 2006 May;67(10):1034-40

CuratorVsheeba, vikramjitmandal

                  Record - 3 of 8   [TOP]
Compound ID3754
Compound Structure
DOWNLOAD:
Plant SourceDerris indica (Lam.) Bennet     Common Name:
Source FamilyFabaceae
OriginSoutheast Asia and Pacific Islands
Plant Part UsedRoot, stem
Extract
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test DoneMicroplate Alamar Blue Assay (MABA)
Positive Control Used (conc.)Isoniazid (0.040 – 0.090 µg/ml), Kanamycin sulfate (2.0 – 5.0 µg/ml)
Inhibition [%]
Activity [MIC] µg/ml12.5 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedPinnatin
PubChem ID   5320607
Ethnomedicinal Information
PubMed ID [Source Literature]16730034
Extract PreparationExtracted the stem and root parts with hexane and dichloromethane and purified with column chromatography
Chemical Classification [Active Compound]Aromatic, Tetracyclic, Flavonoid, Furanoid, Ether
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight292.074
Molecular FormulaC18H12O4
SMILESO1c2c(c(OC)c3c(occ3)c2)c(=O)cc1c1ccccc1
XLogP3.843
PSA39.440
H-bond Donor0
H-bond Acceptor3
No. of Rotatable Bond Count2
No. of Rings4
No. of N0
No. of O4
No. of S0
Reference(s)1) Koysomboon S, van Altena I, Kato S, Chantrapromma K.Antimycobacterial flavonoids from Derris indica.Phytochemistry. 2006 May;67(10):1034-40

CuratorVsheeba, vikramjitmandal

                  Record - 4 of 8   [TOP]
Compound ID4055
Compound Structure
DOWNLOAD:
Plant SourceDerris indica     Common Name:
Source FamilyLeguminosae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Ra
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml25 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedEJMC146
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Tetracyclic, Flavonoid, Benzopyran, O-Acetyl, Phenol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight484.137
Molecular FormulaC25H24O10
SMILESOc1c2c(=O)c(OC)c(c3ccc(O)cc3)oc2c2[C@@H](OC(=O)C)[C@@H](OC(=O)C)C(C)(C)Oc2c1
XLogP2.513
PSA128.590
H-bond Donor2
H-bond Acceptor9
No. of Rotatable Bond Count6
No. of Rings4
No. of N0
No. of O10
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 - 5 of 8   [TOP]
Compound ID4056
Compound Structure
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Plant SourceDerris indica     Common Name:
Source FamilyLeguminosae
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 IdentifiedDemethoxykanugin
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Tetracyclic, Flavonoid, Ether
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight326.079
Molecular FormulaC18H14O6
SMILESCOc1c(c2ccc3OCOc3c2)oc2cc(OC)ccc2c1=O
XLogP2.986
PSA53.990
H-bond Donor0
H-bond Acceptor5
No. of Rotatable Bond Count3
No. of Rings4
No. of N0
No. of O6
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 - 6 of 8   [TOP]
Compound ID4057
Compound Structure
DOWNLOAD:
Plant SourceDerris indica     Common Name:
Source FamilyLeguminosae
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 IdentifiedLacheolatin B
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Tetracyclic, Flavonoid, Furanoid
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight262.063
Molecular FormulaC17H10O3
SMILESO=c1c2ccc3c(cco3)c2oc(c2ccccc2)c1
XLogP4.287
PSA30.210
H-bond Donor0
H-bond Acceptor2
No. of Rotatable Bond Count1
No. of Rings4
No. of N0
No. of O3
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 ID4058
Compound Structure
DOWNLOAD:
Plant SourceDerris indica     Common Name:
Source FamilyLeguminosae
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 IdentifiedMaackiain
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Tetracyclic, Flavonoid, Benzopyran, Ether, Phenol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight284.068
Molecular FormulaC16H12O5
SMILESOc1ccc2[C@@H]3Oc4c(cc5c(OCO5)c4)[C@@H]3COc2c1
XLogP1.797
PSA57.150
H-bond Donor1
H-bond Acceptor5
No. of Rotatable Bond Count0
No. of Rings5
No. of N0
No. of O5
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 ID4127
Compound Structure
DOWNLOAD:
Plant SourceDerris indica     Common Name:
Source FamilyLeguminosae
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 Identified3,7-Dimethoxyflavone
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Tricyclic, Benzopyrone, Flavonoid, Ether
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight282.089
Molecular FormulaC17H14O4
SMILESCOc1c(c2ccccc2)oc2cc(OC)ccc2c1=O
XLogP4.580
PSA35.530
H-bond Donor0
H-bond Acceptor3
No. of Rotatable Bond Count3
No. of Rings3
No. of N0
No. of O4
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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