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Phenolic glycosides from Phagnalon rupestre.

2002

Analysis of the butanol-soluble fraction from the methanolic extract of the aerial parts of Phagnalon rupestre (Asteraceae) has led to the isolation of seven phenolic compounds. Three have been identified on the basis of their NMR spectra as new natural compounds: the lignan 7,7'-bis-(4-hydroxy-3,5-dimethoxyphenyl)-8,8'-dihydroxymethyl-tetrahydrofuran-4-O-beta-glucopyranoside (1), the prenylhydroquinone glycoside 1-O-beta-glucopyranosyl-1,4-dihydroxy-2-(3'-hydroxy-3'-methylbutyl) benzene (2) and the acetophenone glycoside 12-O-beta-glucopyranosyl-9beta,12-dihydroxytremetone (3). The known flavonoids apigenin-7-O-beta-glucoside, luteolin-7-O-beta-glucoside, luteolin-7-O-beta-glucuronide and …

StereochemistryPiceinFlavonoidMolecular ConformationPlant ScienceHorticultureAsteraceaeBiochemistryLignanschemistry.chemical_compoundOrganic chemistryPhenolsGlycosidesMolecular BiologyLignanchemistry.chemical_classificationbiologyQuinonesGlycosideAcetophenonesGeneral MedicineAsteraceaebiology.organism_classificationchemistryApigeninPlant ShootsAcetophenonePhytochemistry
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Joziknipholones A and B: The First Dimeric Phenylanthraquinones, from the Roots ofBulbine frutescens

2007

From the roots of the African plant Bulbine frutescens (Asphodelaceae), two unprecedented novel dimeric phenylanthraquinones, named joziknipholones A and B, possessing axial and centrochirality, were isolated, together with six known compounds. Structural elucidation of the new metabolites was achieved by spectroscopic and chiroptical methods, by reductive cleavage of the central bond between the monomeric phenylanthraquinone and -anthrone portions with sodium dithionite, and by quantum chemical CD calculations. Based on the recently revised absolute axial configuration of the parent phenylanthraquinones, knipholone and knipholone anthrone, the new dimers were attributed to possess the P-co…

StereochemistryPlasmodium falciparumDrug ResistanceAnthraquinonesStereoisomerismPlant RootsAnthroneAnthraquinoneCatalysisSodium dithioniteAntimalarialsMicechemistry.chemical_compoundCell Line TumorLiliaceaeAnimalsAsphodelaceaeLeukemia L5178Plants MedicinalMolecular StructurebiologySpectrum AnalysisOrganic ChemistryDithioniteChloroquineStereoisomerismPlasmodium falciparumGeneral Chemistrybiology.organism_classificationAntineoplastic Agents PhytogenicRatschemistryQuantum TheoryBulbine frutescensChirality (chemistry)DimerizationAlgorithmsChemistry - A European Journal
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Rotenoids, Flavonoids, and Chalcones from the Root Bark of Millettia usaramensis.

2015

Five new compounds, 4-O-geranylisoliquiritigenin (1), 12-dihydrousararotenoid B (2), 12-dihydrousararotenoid C (3), 4'-O-geranyl-7-hydroxyflavanone (4), and 4'-O-geranyl-7-hydroxydihydroflavanol (5), along with 12 known natural products (6-17) were isolated from the CH2Cl2/MeOH (1:1) extract of the root bark of Millettia usaramensis ssp. usaramensis by chromatographic separation. The purified metabolites were identified by NMR spectroscopic and mass spectrometric analyses, whereas their absolute configurations were established on the basis of chiroptical data and in some cases also by X-ray crystallography. The crude extract was moderately active (IC50 = 11.63 μg/mL) against the ER-negative…

StereochemistryPlasmodium falciparumMolecular ConformationPharmaceutical Scienceroot barkCrystallography X-Ray01 natural sciencesMillettiaAnalytical ChemistryMillettia usaramensischemistry.chemical_compoundAntimalarialsChalconesDrug DiscoveryPlant BarkHumansta116IC50Nuclear Magnetic Resonance Biomolecularta317metabolitesPharmacologyFlavonoidsChromatographyNatural productbiologyMolecular Structure010405 organic chemistryChemistryPlant ExtractsOrganic ChemistryPlasmodium falciparumChloroquinebiology.organism_classification0104 chemical sciencesMillettia010404 medicinal & biomolecular chemistryChromatographic separationHEK293 CellsComplementary and alternative medicinevisual_artFlavanonesvisual_art.visual_art_mediumPlant BarkMolecular MedicineBarkrotenoidsJournal of natural products
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Naphthalene Derivatives from the Roots of Pentas parvifolia and Pentas bussei

2016

The phytochemical investigation of the CH2Cl2/MeOH (1:1) extract of the roots of Pentas parvifolia led to the isolation of three new naphthalenes, parvinaphthols A (1), B (2), and C (3), two known anthraquinones, and five known naphthalene derivatives. Similar investigation of the roots of Pentas bussei afforded a new polycyclic naphthalene, busseihydroquinone E (4), a new 2,2'-binaphthralenyl-1,1'-dione, busseihydroquinone F (5), and five known naphthalenes. All purified metabolites were characterized by NMR and MS data analyses, whereas the absolute configurations of 3 and 4 were determined by single-crystal X-ray diffraction studies. The E-geometry of compound 5 was supported by DFT-base…

StereochemistryPlasmodium falciparumPharmaceutical SciencePentasAnthraquinonesRubiaceaeCrystallography X-Ray010402 general chemistryPlant Roots01 natural sciencesAnalytical ChemistryAntimalarialsInhibitory Concentration 50chemistry.chemical_compoundBreast cancer cell lineDrug DiscoveryAnthraquinonesIc50 valuesHumansNuclear Magnetic Resonance Biomolecularta116naphthalene derivativesNaphthalenenaphthalenesPharmacologyPentasMolecular Structurebiology010405 organic chemistryOrganic Chemistryta1182Pentas parvifoliabiology.organism_classificationphytochemicals0104 chemical sciencesComplementary and alternative medicinechemistryPhytochemicalMolecular MedicineJournal of Natural Products
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Electronic structure and energy decomposition analyses as a tool to interpret the redox potential ranking of naphtho-, biphenyl- and biphenylenequino…

2016

By calling on modelling approaches we have performed a comparative study on the redox properties of various naphtho-, biphenyl- and biphenylene-quinone isomers. These different compounds exhibit as a whole a redox potential range between 2.09 and 2.90 V vs. Li+/Li. A specific methodology was used to decrypt the interplay among isomerism, aromaticity and antiaromaticity modifications and the stabilization/destabilization effects due to other molecular components on this key electrochemical feature for electrode materials of batteries. In particular, energy decomposition analysis, within the Quantum Theory of Atoms in Molecules, along with the electron and electron spin population changes upo…

StereochemistryPopulationRedox potentialsGeneral Physics and Astronomy02 engineering and technologyElectronic structure010402 general chemistry01 natural sciencesRedoxLihium batteriesDFTModellingBiphenylIsomerschemistry.chemical_compoundComputational chemistryPhysical and Theoretical Chemistryeducationeducation.field_of_studyChemistryBiphenyleneAtoms in moleculesAromaticityBiphenylene021001 nanoscience & nanotechnology0104 chemical sciencesQuinoneQuantum Theory of Atoms in MoleculesNaphtoOrganic electrodes0210 nano-technologyAntiaromaticity
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Natural substances (acetogenins) from the family Annonaceae are powerful inhibitors of mitochondrial NADH dehydrogenase (Complex I).

1994

Natural products from the plants of the family Annonaceae, collectively called Annonaceous acetogenins, are very potent inhibitors of the NADH-ubiquinone reductase (Complex I) activity of mammalian mitochondria. The properties of five of such acetogenins are compared with those of rotenone and piericidin, classical potent inhibitors of Complex I. Rolliniastatin-1 and rolliniastatin-2 are more powerful than piericidin in terms of both their inhibitory constant and the protein-dependence of their titre in bovine submitochondrial particles. These acetogenins could be considered therefore the most potent inhibitors of mammalian Complex I. Squamocin and otivarin also have an inhibitory constant …

StereochemistryPyridinesSubmitochondrial ParticlesAnnonacinRespiratory chainIn Vitro TechniquesBiochemistryMitochondria Heartchemistry.chemical_compoundRotenoneAnimalsNADH NADPH OxidoreductasesSubmitochondrial particleFuransMolecular BiologyNADH dehydrogenase complexchemistry.chemical_classificationElectron Transport Complex IPlants MedicinalbiologyMolecular StructureCell BiologyRotenonebiology.organism_classificationEnzymechemistryBiochemistryAnnonaceaeCattleBullatacinResearch Article
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Mono- and di-nuclear 2,3-diazabutadiene and 2-azabutadiene complexes of Rhenium(I): Syntheses, luminescence spectra and X-ray structures

2008

Abstract Treatment of [Re(CO)3(THF)(μ-Br)]2 with 4,4-dichloro-1,1-diphenyl-2-azabuta-1,3-diene [Cl2C C(H)–N CPh2] (1a) yields the di-nuclear benzophenone azine-bridged compound [(OC)3Re(μ-Ph2C N–N CPh2)(μ-Br)2Re(CO)3] (2a), albeit in low yield. Alternatively, compounds [(OC)3Re(μ-Ph2C N–N CPh2)(μ-X)2Re(CO)3] (2a,b) (X = Br, Cl) are obtained in high yields by direct reaction of [Re(CO)3(THF)(μ-Br)]2 or [Re(CO)5Cl] with benzophenone azine. Nucleophilic attack of NaSPh on 1a affords the 2-azabutadiene derivative [(PhS)(Cl)C C(H)–N CPh2] (1b), which upon reaction with [Re(CO)3(THF)(μ-Br)]2 forms the S,N-chelate complex fac-[(OC)3ReBr{(PhS)(Cl)C C(H)–N CPh2}] (3). The crystal structures of 1b, 2…

Stereochemistrychemistry.chemical_elementCrystal structureRheniumMedicinal chemistryInorganic ChemistryAzinechemistry.chemical_compoundchemistryNucleophileThioetherMaterials ChemistryBenzophenonePhysical and Theoretical ChemistryLuminescenceDerivative (chemistry)Inorganic Chemistry Communications
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Double azido-bridged and mixed-bridged binuclear copper(II) and nickel(II) compounds with N,N,O-donor Schiff bases: Synthesis, structure, magnetic an…

2015

Abstract Two dinuclear complexes μ1,1-azido bridged [Cu(L1)(N3)]2 (1) and μ-phenoxo, μ1,1-azido bridged [Ni2(L2)2(μ1,1-N3)(N3) H2O] (2) bearing HL1 and HL2 as a blocking co-ligands produced by the 1:1 condensation of N-benzyl ethylenediamine with ortho-hydroxy acetophenone and N-methyl propanediamine with 3-methoxy salicylaldehyde respectively, have been synthesized and successfully characterized by elemental analyses, IR and electronic spectroscopy, single-crystal X-ray diffraction, variable temperature magnetic study and DFT studies. X-ray crystal structures of 1 reveal that the Cu(II) ion displays a five-coordinate square pyramidal coordination with a centro-symmetric μ1,1-azido bridging…

Stereochemistrychemistry.chemical_elementEthylenediamineCrystal structureSquare pyramidal molecular geometryInorganic ChemistryMetalchemistry.chemical_compoundCrystallographyNickelSalicylaldehydechemistryIntramolecular forcevisual_artMaterials Chemistryvisual_art.visual_art_mediumPhysical and Theoretical ChemistryAcetophenonePolyhedron
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Zur Acetylierung von Spironolacton, Canrenon und 2-Methylencanrenon

1995

Bei der Umsetzung der Titelverbindungen mit Acetanhydrid und Acetylchlorid werden das 3,5-Dien-3-yl-acetat 2, die isomeren 2,4,6- und 3,5,7-Trien-3-yl-acetate 3 und 4 sowie das 2,4,6,8(14)-Tetraen-3-yl-acetat 7 erhalten. Hydrolyse von 7 liefert das 2α-Methl-8,14-didehydro-canrenon (9). 7 und 9 wurden auf ihre Bindungsfahigkeit gegenuber Hormon-Rezeptoren sowie den Serumproteinen SHBG und CBG gepruft: Die Substanzen erwiesen sich als inaktiv. Acetylation of Spironolactone, Canrenone, and 2-Methylene Canrenone Reaction of the title compounds with acetic anhydride and acetyl chloride yields the 3,5-dien-3-yl acetate 2 the isomeric 2,4,6- and 3,5,7-trien-3-yl acetates 3 and 4 as well as the 2,4…

Stereochemistrymedicine.medical_treatmentPharmaceutical ScienceBlood proteinsSteroidHydrolysisAcetic anhydridechemistry.chemical_compoundchemistryAcetylationAcetyl chlorideDrug DiscoverymedicineCanrenoneEnonemedicine.drugArchiv der Pharmazie
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Photochemical Generation of Cyclophanes from 1,3,5-Trisubstituted Benzenes with Chalcone Chromophores

2007

(E,E,E)-1,3,5-Tricinnamoylbenzene (7a) photodimerizes in solution to the [4.4.4](1,3,5)cyclophane 8a. The process consists of three consecutive steps in which cisoid enone conformations of 7a react in regio- and stereoselective anti-head-to-head cycloadditions. (E,E,E)-1,3,5-Tris(3-oxo-3-phenylpropenyl)benzene (13a), an isomer of 7 with reversed enone units, shows a single [2π+2π] cycloaddition of the same type. Due to steric reasons, it is afterwards not capable of intramolecular processes and oligomerizes by intermolecular photocycloadditions. Photolyses in the crystalline state yield dimers by topochemically controlled syn-head-to-tail processes (7a → 10a, 13a → 15a). An efficient dimeri…

Steric effectsChalconeOlefin fiberChemistryStereochemistryOrganic ChemistryRegioselectivityPhotochemistryCycloadditionchemistry.chemical_compoundIntramolecular forcePhysical and Theoretical ChemistryEnoneCyclophaneEuropean Journal of Organic Chemistry
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