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A general survey and some taxonomic implications of diterpenes in the Asteraceae
TLDR
A general survey of the occurrence of diterpenes in the Asteraceae is provided, finding that in the subfamily Cichorioideae, only a few of the studied species possess diter penes, wherein kaurane is the most frequent diterpene skeleton. Expand
Automatic Identification by 13C NMR of Substituent Groups Bonded in Natural Product Skeletons
TLDR
A procedure that utilizes 13C NMR for identification of substituent groups which are bonded to carbon skeletons of natural products and served to test the prediction of skeletons by using other programs of the expert system SISTEMAT. Expand
Labdane dimers from Xylopia aromatica
From the stem bark of Xylopia aromatica (Annonaceae), have been isolated two new labdane dimers as their methyl esters, together with the known compounds ent-labda-8(17),13(16),14-trien-18-oic acid,Expand
Chemical Evolution in the Asteraceae. The Oxidation– Reduction Mechanism and Production of Secondary Metabolites
This work describes the application of partial least squares (PLS) regression to variables that represent the oxidation data of several types of secondary metabolite isolated from the familyExpand
Neural Networks in Chemosystematic Studies of Asteraceae: A Classification Based on a Dichotomic Approach
TLDR
The application of artificial neural nets is described as an alternative and efficient method for the classification of botanical taxa based on chemical data (chemosystematics) and gave rise to good results, with multiple‐correlation values R>0.90. Expand
Ditregra - an auxiliary program for structural determination of diterpenes
This work describes the creation of heuristics rules based on 13 C-NMR spectroscopy that characterize several skeletal types of diterpenes. Using a collection of 2745 spectra we built a databaseExpand
Natural Product Substitution Pattern and Skeletal Recognition Method
TLDR
A methodology for identification of skeletal types of diterpenes based on data base with 1500 compounds isolated from Asteraceae is described, and an example of identification of a new substance is given. Expand
Automatic identification of terpenoid skeletons by feed-forward neural networks.
TLDR
Feed-forward neural networks were used to predict the skeletal type of molecules belonging to six classes of terpenoids, and the constitution of the best FFNN input vector format resorted from an heuristic approach. Expand
A program for terpenoid skeleton prediction based on botanical information
TLDR
The SISOCBOT program was tested with 78 samples involving 302 substances, pertaining to 38 carbon skeletons, and showed a high hit index on skeleton prediction, thus emphasizing the potential importance of these data for structural determination of natural products. Expand
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