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













                  Page - 1 of 1                  Record - 1 of 4   [TOP]
Compound ID3399
Compound Structure
DOWNLOAD:
Plant SourceMelia volkensii Gurke     Common Name:
Source FamilyMeliaceae
OriginVoi, Kenya
Plant Part UsedSeed
ExtractMethanol
Target BacteriaMycobacterium tuberculosis H37Rv (ATCC 27 294)
Assay / Test DoneRadiorespirometric BACTEC Assay
Positive Control Used (conc.)
Inhibition [%]99 %
Activity [MIC] µg/ml16 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified12 β - Hydroxykulactone
PubChem ID   6476656
Ethnomedicinal Information
PubMed ID [Source Literature]10217705
Extract PreparationCrushed seeds (1 kg) were allowed to stand in 2 l of MeOH for 1 week
Chemical Classification [Active Compound]Alicyclic, Pentacyclic, Steroid, Lactone, Ketone, Alcohol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight468.324
Molecular FormulaC30H44O4
SMILESO1[C@@H]2[C@H]([C@]3([C@@](C4=CC[C@@H]5[C@@](C4C[C@H]3O)(CCC(=O)C5(C)C)C)(C2)C)C)[C@H](C1=O)C/C=C/C(C)C
XLogP5.668
PSA63.600
H-bond Donor1
H-bond Acceptor4
No. of Rotatable Bond Count3
No. of Rings5
No. of N0
No. of O4
No. of S0
Reference(s)1) Cantrell CL, Rajab MS, Franzblau SG, Fischer NH.Antimycobacterial triterpenes from Melia volkensii.J Nat Prod. 1999 Apr;62(4):546-8

CuratorVikramjitmandal

                  Record - 2 of 4   [TOP]
Compound ID3400
Compound Structure
DOWNLOAD:
Plant SourceMelia volkensii Gurke     Common Name:
Source FamilyMeliaceae
OriginVoi, Kenya
Plant Part UsedSeed
ExtractMethanol
Target BacteriaMycobacterium tuberculosis H37Rv (ATCC 27 294)
Assay / Test DoneRadiorespirometric BACTEC Assay
Positive Control Used (conc.)
Inhibition [%]99 %
Activity [MIC] µg/ml16 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound IdentifiedKulonate
PubChem ID   490539
Ethnomedicinal InformationUsed in folk medicine to alleviate pain - tea prepared from bark
PubMed ID [Source Literature]10217705
Extract PreparationCrushed seeds (1 kg) were allowed to stand in 2 l of MeOH for 1 week
Chemical Classification [Active Compound]Alicyclic, Tetracyclic, Steroid, Ester, Ketone, Alcohol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight526.366
Molecular FormulaC33H50O5
SMILESO1[C@@H]2[C@H]([C@]3([C@](C2)(C2=CC[C@@H]4[C@@](C2CC3)(CCC(=O)C4(C)C)C)C)C)[C@@H]([C@H]1O)[C@@H](CCC=C(C)C)C(=O)OC
XLogP6.712
PSA72.830
H-bond Donor1
H-bond Acceptor5
No. of Rotatable Bond Count6
No. of Rings5
No. of N0
No. of O5
No. of S0
Reference(s)1) Cantrell CL, Rajab MS, Franzblau SG, Fischer NH.Antimycobacterial triterpenes from Melia volkensii.J Nat Prod. 1999 Apr;62(4):546-8

CuratorVikramjitmandal

                  Record - 3 of 4   [TOP]
Compound ID3401
Compound Structure
DOWNLOAD:
Plant SourceMelia volkensii Gurke     Common Name:
Source FamilyMeliaceae
OriginVoi, Kenya
Plant Part UsedSeed
ExtractMethanol
Target BacteriaMycobacterium tuberculosis H37Rv (ATCC 27 294)
Assay / Test DoneRadiorespirometric BACTEC Assay
Positive Control Used (conc.)
Inhibition [%]99 %
Activity [MIC] µg/ml4 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified6β - Hydroxykulactone
PubChem ID   6476657
Ethnomedicinal Information
PubMed ID [Source Literature]10217705
Extract PreparationCrushed seeds (1 kg) were allowed to stand in 2 l of MeOH for 1 week
Chemical Classification [Active Compound]Alicyclic, Pentacyclic, Steroid, Lactone, Ketone
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight468.324
Molecular FormulaC30H44O4
SMILESO1[C@@H]2[C@H]([C@]3([C@@](C4=C[C@@H](O)[C@@H]5[C@@](C4CC3)(CCC(=O)C5(C)C)C)(C2)C)C)[C@H](C1=O)C/C=C/C(C)C
XLogP5.934
PSA63.600
H-bond Donor1
H-bond Acceptor4
No. of Rotatable Bond Count3
No. of Rings5
No. of N0
No. of O4
No. of S0
Reference(s)1) Cantrell CL, Rajab MS, Franzblau SG, Fischer NH.Antimycobacterial triterpenes from Melia volkensii.J Nat Prod. 1999 Apr;62(4):546-8

CuratorRachana, vikramjitmandal

                  Record - 4 of 4   [TOP]
Compound ID3987
Compound Structure
DOWNLOAD:
Plant SourceMelia volkensii     Common Name:
Source FamilyMeliaceae
Origin
Plant Part Used
Extract
Target BacteriaMycobacterium tuberculosis H37Rv
Assay / Test Done
Positive Control Used (conc.)
Inhibition [%]
Activity [MIC] µg/ml4 µg/ml
Activity (In terms of dilution)
Activity (Zone of inhibition in mm)
Active Compound Identified6-hydroxyculactone
PubChem IDNR
Ethnomedicinal Information
PubMed ID [Source Literature]
Extract Preparation
Chemical Classification [Active Compound]Alicyclic, Pentacyclic, Terpene, Triterpene, Ketone, Lactone, Alcohol
Media / Broth Used [Antimicrobial Assay/Test]
Cytotoxicity Assay [AID]
Molecular Weight482.340
Molecular FormulaC31H46O4
SMILESC[C@]12C([C@H](O)C=C3C1CC[C@]1(C)[C@]3(C)CC3OC(=O)[C@]([C@@H]13)(C)CCC=C(C)C)C(C)(C)C(=O)CC2
XLogP5.798
PSA63.600
H-bond Donor1
H-bond Acceptor4
No. of Rotatable Bond Count3
No. of Rings5
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) 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


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)