|  Home  |Search   |  Browse  |Similarity   |Data Visualization  |Submission  |Contact Us  |  













                  Page - 1 of 1                  Record - 1 of 7   [TOP]
Compound ID3667
Compound Structure
DOWNLOAD:
Plant SourceEngelhardia roxburghiana Hay     Common Name:
Source FamilyJuglandaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test DoneAgar - Dilution Test
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/mlNR
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified3-Methoxycarbonyl-1,5-dihydroxyanthraquinone
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]15729627
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Tricyclic, Anthraquinone, Ester, Phenol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight298.048
Molecular FormulaC16H10O6
SMILESC1ccc(c2c1C(=O)c1c(C2=O)cc(cc1O)C(=O)OC)O
XLogP0.862
PSA100.900
H-bond Donor2
H-bond Acceptor6
No. of Rotatable Bond Count2
No. of Rings3
No. of N0
No. of O6
No. of S0
Reference(s)1) Lin WY, Peng CF, Tsai IL, Chen JJ, Cheng MJ, Chen IS.Antitubercular constituents from the roots of Engelhardia roxburghiana.Planta Med. 2005 Feb;71(2):171-5

CuratorVsheeba, vikramjitmandal

                  Record - 2 of 7   [TOP]
Compound ID3668
Compound Structure
DOWNLOAD:
Plant SourceEngelhardia roxburghiana Hay     Common Name:
Source FamilyJuglandaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test DoneAgar - Dilution Test
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/mlNR
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified5 - Hydroxy - 4 - Methoxy - 1 - Tetralone
PubChem ID   11355988
Ethnomedicinal Information
PubMed ID [Source Literature]15729627
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Bicyclic, Napthalene, Ketone, Ether, Phenol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight192.079
Molecular FormulaC11H12O3
SMILESO([C@H]1CCC(=O)c2c1c(O)ccc2)C
XLogP0.849
PSA46.530
H-bond Donor1
H-bond Acceptor3
No. of Rotatable Bond Count1
No. of Rings2
No. of N0
No. of O3
No. of S0
Reference(s)1) Lin WY, Peng CF, Tsai IL, Chen JJ, Cheng MJ, Chen IS.Antitubercular constituents from the roots of Engelhardia roxburghiana.Planta Med. 2005 Feb;71(2):171-5

CuratorVsheeba, vikramjitmandal

                  Record - 3 of 7   [TOP]
Compound ID3669
Compound Structure
DOWNLOAD:
Plant SourceEngelhardia roxburghiana Hay     Common Name:
Source FamilyJuglandaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test DoneAgar - Dilution Test
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml0.2 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedEngelhardione
PubChem ID   11404174
Ethnomedicinal Information
PubMed ID [Source Literature]15729627
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Tricyclic, Ketone, Ether, Phenol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight312.136
Molecular FormulaC19H20O4
SMILESO1c2cc(CCCCC(=O)CCc3cc1c(O)cc3)ccc2O
XLogP3.415
PSA66.760
H-bond Donor2
H-bond Acceptor4
No. of Rotatable Bond Count0
No. of Rings3
No. of N0
No. of O4
No. of S0
Reference(s)1) Lin WY, Peng CF, Tsai IL, Chen JJ, Cheng MJ, Chen IS.Antitubercular constituents from the roots of Engelhardia roxburghiana.Planta Med. 2005 Feb;71(2):171-5

CuratorVsheeba, vikramjitmandal

                  Record - 4 of 7   [TOP]
Compound ID3985
Compound Structure
DOWNLOAD:
Plant SourceEngelhardia roxburghiana     Common Name:
Source FamilyJuglandaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml4.0 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified(-)-4-Hydroxy-1-tetralone
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Bicyclic, Cyclohexanone, Alcohol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight162.068
Molecular FormulaC10H10O2
SMILESO[C@H]1CCC(=O)c2c1cccc2
XLogP1.715
PSA37.300
H-bond Donor1
H-bond Acceptor2
No. of Rotatable Bond Count0
No. of Rings2
No. of N0
No. of O2
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) Rogoza, L. N.; Salakhutdinov, N. F.; Tolstikov, G. A. Anti-tubercular Activity of Natural Products: Recent Developments. In Opportunity, Challenge and Scope of Natural Products in Medicinal Chemistry; Tiwari, V. K. Ed.; Research Signpost: India, 2011; pp 103-120

Curator

                  Record - 5 of 7   [TOP]
Compound ID4085
Compound Structure
DOWNLOAD:
Plant SourceEngelhardia roxburghiana     Common Name:
Source FamilyJuglandaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml20 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedEngelharquinone
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Pentacyclic, Napthoquinone, Ketone, Phenol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight348.063
Molecular FormulaC20H12O6
SMILESO=C1C2=C([C@@]3(O)c4cccc(O)c4C(=O)[C@@H]2C3)C(=O)c2c(O)cccc12
XLogP-0.276
PSA111.900
H-bond Donor3
H-bond Acceptor6
No. of Rotatable Bond Count0
No. of Rings5
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 7   [TOP]
Compound ID4086
Compound Structure
DOWNLOAD:
Plant SourceEngelhardia roxburghiana     Common Name:
Source FamilyJuglandaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml30 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified2-Methoxyjuglone
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Bicyclic, Napthalene, Quinone, Ether, Phenol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight204.042
Molecular FormulaC11H8O4
SMILESO=C1C(=CC(=O)c2c(O)cccc12)OC
XLogP0.815
PSA63.600
H-bond Donor1
H-bond Acceptor4
No. of Rotatable Bond Count1
No. of Rings2
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 - 7 of 7   [TOP]
Compound ID4087
Compound Structure
DOWNLOAD:
Plant SourceEngelhardia roxburghiana     Common Name:
Source FamilyJuglandaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml3.125 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified3-Methoxyjuglone
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Aromatic, Bicyclic, Napthalene, Quinone, Ether, Phenol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight204.042
Molecular FormulaC11H8O4
SMILESO=C1C(=CC(=O)c2cccc(O)c12)OC
XLogP0.815
PSA63.600
H-bond Donor1
H-bond Acceptor4
No. of Rotatable Bond Count1
No. of Rings2
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


Developed by: CSIR- OSDD Unit, Delhi, India and Hosted by: Bioinformatics Centre,   Institute of Microbial Technology, Sec-39A, Chandigarh, India.
The website has been tested on the latest version of Google Chrome (34.0.1847.137 m) and Mozilla Firefox (29.0.1)