A new dimeric psoralen-type furanocoumarin, notopterol-（18-O-20＇）-notopol （1）, was isolated from Notopterygium incisum for the first time and its structure was elucidated by spectroscopic methods.
Oxypeucedanin hydrate monoacetate (Mol. Formula = C18H18O7) micro-crystals were obtained by acetylation of oxy-peucedanin hydrate, a furanocoumarin, isolated from the roots of Prangos pabularia. The composition relate...Oxypeucedanin hydrate monoacetate (Mol. Formula = C18H18O7) micro-crystals were obtained by acetylation of oxy-peucedanin hydrate, a furanocoumarin, isolated from the roots of Prangos pabularia. The composition related structural, thermal and optical properties were investigated. All the crystals were found to have triclinic structure. From thermal studies of these crystals, stability, melting point and other relevant informations were obtained. Their blue emission, less absorption in entire visible range and band gap predicts these crystals as good candidate for modern optoelectronic devices.展开更多
Isopimpinellin(C13H10O5),alternative name 5,8-dimethoxypsoralen,is one of the furocoumarin compounds.This traditional Chinese medicine extract has attracted a great deal of attention in recent years due to its pharmac...Isopimpinellin(C13H10O5),alternative name 5,8-dimethoxypsoralen,is one of the furocoumarin compounds.This traditional Chinese medicine extract has attracted a great deal of attention in recent years due to its pharmacological properties,especially its antifungal effect.The main purpose of this study was to study the molecular structure and chemical reactivity of isopimpinellin using the density functional theory method.To understand and interpret the reactivity of isopimpinellin,various chemical reactivity descriptors such as chemical potential(μ),electronegativity(χ),chemical hardness(η)and electrophilicity(ω)and local reactivity index condensed Fukui function(fi(r))have been calculated with five hybrid functionals PBE1PBE,MPW1PW91,B3LYP,X3LYP and B3PW91.These chemical reactivity descriptors indicate that the isopimpinellin molecule has a good antioxidant activity,which could be one of the reasons for its action as an effective antifungal drug.The condensed Fukui functions of isopimpinellin molecule provide a complete scheme of chemical reactivity of one molecule.展开更多
Objective:To study the chemical constituents of the roots of Angelica dahurica,a well-known Chinese herbal medicine named Baizhi in Chinese.Methods:Compounds were separated by various chromatographies,and the structur...Objective:To study the chemical constituents of the roots of Angelica dahurica,a well-known Chinese herbal medicine named Baizhi in Chinese.Methods:Compounds were separated by various chromatographies,and the structures of new compounds were elucidated based on the analysis of their spectroscopic and spectrometric data(1D,2D NMR,HRESI MS,IR,and UV).The absolute configurations of new compounds were determined by the calculated electronic circular dichroism and chemical derivatization.The inhibitory activities of all isolates against nitric oxide(NO)production were evaluated using lipopolysaccharide-activated RAW 264.7macrophage cells.Results:Seven new 3,4-dihydro-furanocoumarin derivatives(1a/1b,2a/2b,3a/3b,4)together with a known furanocoumarin(5)were isolated from the roots of A.dahurica.The new compounds included three pairs of enantiomers,(4S,2’’R)-angelicadin A(1a)/(4R,2’’S)-angelicadin A(1b),(4S,2’’S)-angelicadin A(2a)/(4R,2’’R)-angelicadin A(2b),and(4S,2’’S)-secoangelicadin A(3a)/(4R,2’’R)-secoangelicadin A(3b),together with(4R,2’’R)-secoangelicadin A methyl ester(4).The known xanthotoxol(5)inhibited the NO production with the half-maximal inhibitory concentration(IC50)value of(32.8±0.8)μmol/L,but all the new compounds showed no inhibitory activities at the concentration of100μmol/L.Conclusion:This is the first report of the discovery of 3,4-dihydro-furanocoumarins from A.dahurica.The results are not only meaningful for the understanding of the chemical constituents of A.dahurica,but also enrich the reservoir of natural products.展开更多
基金in part,by NSFC grants(No.90713040,30640068),MOST(No.2003CB716601),NCET grant(No.NCET-06-0422)STCSM grants(No.06DZ19002,06PJ14033,07DZ22006).The authors are grateful to Dr.Jiang-Nan Peng and Prof.Mark T.Hamann(Department of Pharmacognosy,The University of Mississippi),Prof.Jian-Ming Yue(Shanghai Institute of Materia Medica),and Prof.Zheng Zhao(Shanghai Key Laboratory of Brain Functional Genomics)for their assistance of the measurement of MS spectral data.The authors wish to thank Prof.Jian-Wei Chen(Nanjing University of Traditional Chinese Medicine)for the plant identification.
文摘A new dimeric psoralen-type furanocoumarin, notopterol-（18-O-20＇）-notopol （1）, was isolated from Notopterygium incisum for the first time and its structure was elucidated by spectroscopic methods.
文摘Oxypeucedanin hydrate monoacetate (Mol. Formula = C18H18O7) micro-crystals were obtained by acetylation of oxy-peucedanin hydrate, a furanocoumarin, isolated from the roots of Prangos pabularia. The composition related structural, thermal and optical properties were investigated. All the crystals were found to have triclinic structure. From thermal studies of these crystals, stability, melting point and other relevant informations were obtained. Their blue emission, less absorption in entire visible range and band gap predicts these crystals as good candidate for modern optoelectronic devices.
文摘Isopimpinellin(C13H10O5),alternative name 5,8-dimethoxypsoralen,is one of the furocoumarin compounds.This traditional Chinese medicine extract has attracted a great deal of attention in recent years due to its pharmacological properties,especially its antifungal effect.The main purpose of this study was to study the molecular structure and chemical reactivity of isopimpinellin using the density functional theory method.To understand and interpret the reactivity of isopimpinellin,various chemical reactivity descriptors such as chemical potential(μ),electronegativity(χ),chemical hardness(η)and electrophilicity(ω)and local reactivity index condensed Fukui function(fi(r))have been calculated with five hybrid functionals PBE1PBE,MPW1PW91,B3LYP,X3LYP and B3PW91.These chemical reactivity descriptors indicate that the isopimpinellin molecule has a good antioxidant activity,which could be one of the reasons for its action as an effective antifungal drug.The condensed Fukui functions of isopimpinellin molecule provide a complete scheme of chemical reactivity of one molecule.
基金financially supported by Beijing Natural Science Foundation(No.7202125)。
文摘Objective:To study the chemical constituents of the roots of Angelica dahurica,a well-known Chinese herbal medicine named Baizhi in Chinese.Methods:Compounds were separated by various chromatographies,and the structures of new compounds were elucidated based on the analysis of their spectroscopic and spectrometric data(1D,2D NMR,HRESI MS,IR,and UV).The absolute configurations of new compounds were determined by the calculated electronic circular dichroism and chemical derivatization.The inhibitory activities of all isolates against nitric oxide(NO)production were evaluated using lipopolysaccharide-activated RAW 264.7macrophage cells.Results:Seven new 3,4-dihydro-furanocoumarin derivatives(1a/1b,2a/2b,3a/3b,4)together with a known furanocoumarin(5)were isolated from the roots of A.dahurica.The new compounds included three pairs of enantiomers,(4S,2’’R)-angelicadin A(1a)/(4R,2’’S)-angelicadin A(1b),(4S,2’’S)-angelicadin A(2a)/(4R,2’’R)-angelicadin A(2b),and(4S,2’’S)-secoangelicadin A(3a)/(4R,2’’R)-secoangelicadin A(3b),together with(4R,2’’R)-secoangelicadin A methyl ester(4).The known xanthotoxol(5)inhibited the NO production with the half-maximal inhibitory concentration(IC50)value of(32.8±0.8)μmol/L,but all the new compounds showed no inhibitory activities at the concentration of100μmol/L.Conclusion:This is the first report of the discovery of 3,4-dihydro-furanocoumarins from A.dahurica.The results are not only meaningful for the understanding of the chemical constituents of A.dahurica,but also enrich the reservoir of natural products.
