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                  Page - 1 of 1                  Record - 1 of 10   [TOP]
Compound ID4019
Compound Structure
DOWNLOAD:
Plant SourcePlectranthus grandidentatus     Common Name:
Source FamilyLamiaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis (MDR strain)
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml0.39 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedEJMC36
PubChem IDNR
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 Weight524.241
Molecular FormulaC30H36O8
SMILESC[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
XLogP5.299
PSA116.200
H-bond Donor1
H-bond Acceptor8
No. of Rotatable Bond Count7
No. of Rings4
No. of N0
No. of O8
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 - 2 of 10   [TOP]
Compound ID4020
Compound Structure
DOWNLOAD:
Plant SourcePlectranthus grandidentatus     Common Name:
Source FamilyLamiaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis (MDR strain)
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml0.78 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedEJMC37
PubChem IDNR
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 Weight528.191
Molecular FormulaC29H33ClO7
SMILESC[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
XLogP5.839
PSA106.970
H-bond Donor1
H-bond Acceptor8
No. of Rotatable Bond Count6
No. of Rings4
No. of N0
No. of O7
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 - 3 of 10   [TOP]
Compound ID4136
Compound Structure
DOWNLOAD:
Plant SourcePlectranthus grandidentatus     Common Name:
Source FamilyLamiaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Rv
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 Identified7α-acetoxy, 6β-hydroxyroyleanone
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Tricyclic, Terpene, Diterpene, Quinone, O-Acetyl, Alcohol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight390.204
Molecular FormulaC22H30O6
SMILESC[C@@]12[C@H](C(C)(CCC1)C)[C@H](O)[C@H](C1=C2C(=O)C(=C(C1=O)C(C)C)O)OC(=O)C
XLogP3.868
PSA100.900
H-bond Donor2
H-bond Acceptor6
No. of Rotatable Bond Count3
No. of Rings3
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 - 4 of 10   [TOP]
Compound ID4137
Compound Structure
DOWNLOAD:
Plant SourcePlectranthus grandidentatus     Common Name:
Source FamilyLamiaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis (MDR strain)
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml3.12 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified7α-acetoxy, 6β-hydroxyroyleanone
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Tricyclic, Terpene, Diterpene, Quinone, O-Acetyl, Alcohol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight390.204
Molecular FormulaC22H30O6
SMILESC[C@@]12[C@H](C(C)(CCC1)C)[C@H](O)[C@H](C1=C2C(=O)C(=C(C1=O)C(C)C)O)OC(=O)C
XLogP3.868
PSA100.900
H-bond Donor2
H-bond Acceptor6
No. of Rotatable Bond Count3
No. of Rings3
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 - 5 of 10   [TOP]
Compound ID4138
Compound Structure
DOWNLOAD:
Plant SourcePlectranthus grandidentatus     Common Name:
Source FamilyLamiaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Rv
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 Identified6,7-dehydroroyleanone
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Tricyclic, Terpene, Diterpene, Quinone, Alcohol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight314.188
Molecular FormulaC20H26O3
SMILESC[C@]12[C@@H](C=CC3=C1C(=O)C(=C(C3=O)C(C)C)O)C(C)(C)CCC2
XLogP5.400
PSA54.370
H-bond Donor1
H-bond Acceptor3
No. of Rotatable Bond Count1
No. of Rings3
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 - 6 of 10   [TOP]
Compound ID4139
Compound Structure
DOWNLOAD:
Plant SourcePlectranthus grandidentatus     Common Name:
Source FamilyLamiaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis (MDR strain)
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 Identified6,7-dehydroroyleanone
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Tricyclic, Terpene, Diterpene, Quinone, Alcohol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight314.188
Molecular FormulaC20H26O3
SMILESC[C@]12[C@@H](C=CC3=C1C(=O)C(=C(C3=O)C(C)C)O)C(C)(C)CCC2
XLogP5.400
PSA54.370
H-bond Donor1
H-bond Acceptor3
No. of Rotatable Bond Count1
No. of Rings3
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 10   [TOP]
Compound ID4140
Compound Structure
DOWNLOAD:
Plant SourcePlectranthus grandidentatus     Common Name:
Source FamilyLamiaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Rv
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 IdentifiedHorminone
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Tricyclic, Terpene, Diterpene, Quinone, Alcohol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight332.199
Molecular FormulaC20H28O4
SMILESC[C@]12[C@@H](C[C@@H](O)C3=C1C(=O)C(=C(C3=O)C(C)C)O)C(C)(C)CCC2
XLogP4.369
PSA74.600
H-bond Donor2
H-bond Acceptor4
No. of Rotatable Bond Count1
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

                  Record - 8 of 10   [TOP]
Compound ID4141
Compound Structure
DOWNLOAD:
Plant SourcePlectranthus grandidentatus     Common Name:
Source FamilyLamiaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis (MDR strain)
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 IdentifiedHorminone
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Tricyclic, Terpene, Diterpene, Quinone, Alcohol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight332.199
Molecular FormulaC20H28O4
SMILESC[C@]12[C@@H](C[C@@H](O)C3=C1C(=O)C(=C(C3=O)C(C)C)O)C(C)(C)CCC2
XLogP4.369
PSA74.600
H-bond Donor2
H-bond Acceptor4
No. of Rotatable Bond Count1
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

                  Record - 9 of 10   [TOP]
Compound ID4142
Compound Structure
DOWNLOAD:
Plant SourcePlectranthus grandidentatus     Common Name:
Source FamilyLamiaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Rv
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 Identified6β,7α-dihydroxy royleanone
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Tricyclic, Terpene, Diterpene, Quinone, Alcohol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight348.194
Molecular FormulaC20H28O5
SMILESC[C@]12[C@@H]([C@H](O)[C@@H](O)C3=C1C(=O)C(=C(C3=O)C(C)C)O)C(C)(C)CCC2
XLogP3.557
PSA94.830
H-bond Donor3
H-bond Acceptor5
No. of Rotatable Bond Count1
No. of Rings3
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 - 10 of 10   [TOP]
Compound ID4143
Compound Structure
DOWNLOAD:
Plant SourcePlectranthus grandidentatus     Common Name:
Source FamilyLamiaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis (MDR strain)
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 Identified6β,7α-dihydroxy royleanone
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Tricyclic, Terpene, Diterpene, Quinone, Alcohol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight348.194
Molecular FormulaC20H28O5
SMILESC[C@]12[C@@H]([C@H](O)[C@@H](O)C3=C1C(=O)C(=C(C3=O)C(C)C)O)C(C)(C)CCC2
XLogP3.557
PSA94.830
H-bond Donor3
H-bond Acceptor5
No. of Rotatable Bond Count1
No. of Rings3
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


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