SISTAX: an intelligent tool for recovering information on natural products chemistry

Alvarenga, Sandra A. V.; Gastmans, J. P.; Ferreira, Marcelo J. P.; Rodrigues, Gilberto V.; Brant, Antônio J. C.; Emerenciano, Vicente P.

doi:10.1590/s0103-50532003000300005

Cited by 5 publications

(3 citation statements)

References 15 publications

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“…The first routine of the SISTEMAT system [25][26][27][28] showed the number of occurrences for each triterpene skeleton grouped by genus and, consequently, by tribe and subfamily. Table 2 shows a summary of triterpene occurrences by tribes of Celastraceae.…”

Section: Familymentioning

confidence: 99%

Chemotaxonomic Relationships in Celastraceae Inferred from Principal Component Analysis (PCA) and Partial Least Squares (PLS)

Cruz

Ferreira

Scotti

et al. 2008

Natural Product Communications

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This paper describes a chemotaxonomic analysis of a database of triterpenoid compounds from the Celastraceae family using principal component analysis (PCA). The numbers of occurrences of thirty types of triterpene skeleton in different tribes of the family were used as variables. The study shows that PCA applied to chemical data can contribute to an intrafamilial classification of Celastraceae, once some questionable taxa affinity was observed, from chemotaxonomic inferences about genera and they are in agreement with the phylogeny previously proposed. The inclusion of Hippocrateaceae within Celastraceae is supported by the triterpene chemistry.

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Section: Familymentioning

confidence: 99%

Chemotaxonomic Relationships in Celastraceae Inferred from Principal Component Analysis (PCA) and Partial Least Squares (PLS)

Cruz

Ferreira

Scotti

et al. 2008

Natural Product Communications

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“…The first routine of the program SISTAX (Alvarenga et al ., 2003) showed the number of occurrences for each species in the database. The species were listed and grouped by genus.…”

Section: Atabase Searchmentioning

confidence: 99%

A general survey and some taxonomic implications of diterpenes in the Asteraceae

Alvarenga¹,

Ferreira²,

Rodrigues³

et al. 2005

Botanical Journal of the Linnean Society

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This paper provides a general survey of the occurrence of diterpenes in the Asteraceae. Data on 4351 botanical occurrences were obtained from the literature. These were grouped by skeleton for each genus. Then, the genera were grouped by subtribes, which, in turn, were gathered in tribes, followed by subfamilies. In spite of the low number of species containing diterpenes, it was possible to describe some structural features of these compounds, i.e. the skeletal types in various taxa and the positions in some skeletons that are always oxidized or never undergo oxidation in some genera. Thus, it was verified that: in the subfamily Cichorioideae, only a few of the studied species possess diterpenes, wherein kaurane is the most frequent diterpene skeleton. In the Asteroideae, the presence of diterpenes is much greater than that in the Cichorioideae and Carduoideae. At tribal taxonomic level, for example, the Astereae produce labdanes and clerodanes; Heliantheae and Eupatorieae produce kauranes and labdanes, respectively; and Calenduleae produce pimaranes. Some taxonomic implications are presented.

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“…The DENDRAL system [1] was the pioneer in this area, and through data which originated from diverse spectroscopic sources, especially mass spectrometry, the system elucidated the structures of various organic substances. The programs execute the analyses, for example, through disfunctionalization of 13 C NMR data; [12] identification of the skeletons and substructures by characteristic chemical shift ranges; [13 -15] identification of the substituent groups bonded to natural product skeletons, through 13 C NMR data; [16] to analyze the botanical data, such as family and genera; [17,18] identification of the chemical constituents present in mixtures. The principal one among them was the combinatorial explosion in the structure generator.…”

Section: Introductionmentioning

confidence: 99%

Application of a New Program, H1MACH, for Prediction of Iridoid Skeletons

Ferreira

Costantin

Rodrigues

et al. 2004

Spectroscopy Letters

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A procedure is presented that utilizes 1 H NMR for prediction of the skeleton of iridoids. A new program was developed, named H1MACH, that presents a database with 800 data points from the 1 H NMR spectra of iridoids. This program was widely tested for the prediction of the skeleton of 40 compounds and compared with other programs in the expert system SISTEMAT. The results obtained show that H1MACH is very useful for the prediction of the skeleton of iridoids, especially for the iridane skeleton.

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SISTAX: an intelligent tool for recovering information on natural products chemistry

Cited by 5 publications

References 15 publications

Chemotaxonomic Relationships in Celastraceae Inferred from Principal Component Analysis (PCA) and Partial Least Squares (PLS)

Chemotaxonomic Relationships in Celastraceae Inferred from Principal Component Analysis (PCA) and Partial Least Squares (PLS)

A general survey and some taxonomic implications of diterpenes in the Asteraceae

Application of a New Program, H1MACH, for Prediction of Iridoid Skeletons

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