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Tautomerism in 11-Hydroxyaklavinone : A DFT Study
Author
Source
Issue
Vol. 2012, Issue 2012 (31 Dec. 2012), pp.1-7, 7 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2012-05-01
Country of Publication
Egypt
No. of Pages
7
Main Subjects
Natural & Life Sciences (Multidisciplinary)
Medicine
Information Technology and Computer Science
Abstract EN
The antharquinone-based chromophore of 11-hydroxyaklavinone is present in the structure of an anticancer agent, daunomycin.
On the other hand, aklavinone is the parent aglycone of certain anthracycline antibiotics that possess anti-cancer activity too.
The structures of aklavinone and its 11-hydroxy derivative have many –OH groups, and two keto groups which may take place in certain tautomeric equilibria.
Of these tautomeric forms, presently the one involving the anthraquinone based tautomers of 11-hydroxyaklavinone has been investigated quantum chemically in the framework of the density functional theory at the levels of RB3LYP/6-31G(d) and RB3LYP/6-31G(d,p).
American Psychological Association (APA)
Türker, Lemi. 2012. Tautomerism in 11-Hydroxyaklavinone : A DFT Study. The Scientific World Journal،Vol. 2012, no. 2012, pp.1-7.
https://search.emarefa.net/detail/BIM-478695
Modern Language Association (MLA)
Türker, Lemi. Tautomerism in 11-Hydroxyaklavinone : A DFT Study. The Scientific World Journal No. 2012 (2012), pp.1-7.
https://search.emarefa.net/detail/BIM-478695
American Medical Association (AMA)
Türker, Lemi. Tautomerism in 11-Hydroxyaklavinone : A DFT Study. The Scientific World Journal. 2012. Vol. 2012, no. 2012, pp.1-7.
https://search.emarefa.net/detail/BIM-478695
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-478695