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                  Page - 1 of 1                  Record - 1 of 5   [TOP]
Compound ID3998
Compound Structure
DOWNLOAD:
Plant SourceMicrotropis fokienensis     Common Name:
Source FamilyCelastraceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis (90-221387)
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 IdentifiedEJMC4
PubChem IDNR
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 Weight642.246
Molecular FormulaC37H38O10
SMILESO=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
XLogP9.733
PSA134.660
H-bond Donor1
H-bond Acceptor10
No. of Rotatable Bond Count11
No. of Rings6
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 - 2 of 5   [TOP]
Compound ID3999
Compound Structure
DOWNLOAD:
Plant SourceMicrotropis fokienensis     Common Name:
Source FamilyCelastraceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis (90-221387)
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml10 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedEJMC5
PubChem IDNR
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 Weight642.246
Molecular FormulaC37H38O10
SMILESO=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
XLogP9.733
PSA134.660
H-bond Donor1
H-bond Acceptor10
No. of Rotatable Bond Count11
No. of Rings6
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 - 3 of 5   [TOP]
Compound ID4000
Compound Structure
DOWNLOAD:
Plant SourceMicrotropis fokienensis     Common Name:
Source FamilyCelastraceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis (90-221387)
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml32 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedMutangin
PubChem IDNR
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 Weight622.241
Molecular FormulaC34H38O11
SMILESO=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
XLogP7.727
PSA140.730
H-bond Donor0
H-bond Acceptor11
No. of Rotatable Bond Count12
No. of Rings5
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 - 4 of 5   [TOP]
Compound ID4001
Compound Structure
DOWNLOAD:
Plant SourceMicrotropis fokienensis     Common Name:
Source FamilyCelastraceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis (90-221387)
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml9.3 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedOrbiculin G
PubChem IDNR
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 Weight640.267
Molecular FormulaC38H40O9
SMILESO=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
XLogP11.038
PSA114.430
H-bond Donor0
H-bond Acceptor9
No. of Rotatable Bond Count11
No. of Rings6
No. of N0
No. of O9
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 5   [TOP]
Compound ID4002
Compound Structure
DOWNLOAD:
Plant SourceMicrotropis fokienensis     Common Name:
Source FamilyCelastraceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis (90-221387)
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml11 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedTriptogelin G-2
PubChem IDNR
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 Weight428.256
Molecular FormulaC26H36O5
SMILESC[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
XLogP6.720
PSA61.830
H-bond Donor0
H-bond Acceptor5
No. of Rotatable Bond Count5
No. of Rings4
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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