Maghamesin, a new prenylated flavanone from lam. (moraceae).

The chemical investigation of the methanol root extract of Lam. led to the isolation of a new prenylated flavanone, 5,7,4'-trihydroxy-3'-(3-methylbuta-1,3-dienyl)-5'-(3-methylbut-2-enyl)flavanone, trivially named maghamesin (), together with nine known compounds, 5-hydroxy-3',4',5',7-tetramethoxy-8-prenylflavanone (), cycloheterophyllin (), cyclomorusin (), isobavachalcone (), -isoferulic acid (), 24-methylenecycloartan-3α-ol (), stigmasterol (), -sitosterol () and -sitosterol-3---D-glucopyranoside (). The structures of the isolates were elucidated by extensive spectroscopic and spectrometric analyses (1D and 2D NMR, ESI-MS) and by comparison with previously reported data.

New flavanone and other constituents from A. DC. (fabaceae).

The chemical investigation of the methanol trunk bark extract of led to the isolation of a new flavanone, 5,7,4'-trihydroxy-3',5'-bis(3-methylbutadienyl)flavanone (trivially named senegalensisnone) (), together with seven known compounds, abyssinone-V-4'--methyl ether (), abyssinone V (), Calopocarpin (), genistein ) mixture of stigmasterol () and -sitosterol () and -sitosterol-3---D-glucopyranoside (). The structures of the isolates were elucidated by extensive spectroscopic and spectrometric analyses (1D and 2D NMR, ESI-MS) and by comparison with previously reported data. The absolute configuration of was deduced based on comparison of its experimental CD with that of similar compound.

The use of minimal topological differences to inspire the design of novel tetrahydroisoquinoline analogues with antimalarial activity.

A quantitative structure-activity relationship (QSAR) study was conducted using nineteen previously synthesized, and tested 1-aryl-6-hydroxy-1,2,3,4-tetrahydroisoquinolines with proven activities against . In order to computationally design and screen potent antimalarial agents, these compounds with known biological activity ranging from 0.697 to 35.

Crystal structure and Hirshfeld surface analysis of 4-{2,2-di-chloro-1-[()-(4-chloro-phen-yl)diazen-yl]ethen-yl}-,-di-methyl-aniline.

The title compound, CHClN, comprises three mol-ecules of similar shape in the asymmetric unit. The crystal cohesion is ensured by inter-molecular C-H⋯N and C-H⋯Cl hydrogen bonds in addition to C-Cl⋯π inter-actions. Hirshfeld surface analysis and two-dimensional fingerprint plots reveal that Cl⋯H/H⋯Cl (33.

Bioactive constituents from (Sabine & G.Don) J.H.Hemsl.

The phytochemical investigation of the methanolic extracts of roots, stem bark, leaves and twigs of has led to the isolation of one new friedelane triterpene, lacefriedelic acid or 3,23-dihydroxy D:A-friedooleanan-28-oic acid () and one new prenylated xanthone, lacexanthone or 4,7-dihydroxy-2,3,3,9,9-pentamethyl-2,2-dihydrofurano[2,3-a]pyrano[2,3-i]xanthen-13()-one () alongside twenty-four known compounds. Compounds - are reported here for the first time from the genus . The structures of all compounds were determined by spectroscopic analyses and X-ray crystallography.

Crystal structures and Hirshfeld surface analyses of the two isotypic compounds ()-1-(4-bromo-phen-yl)-2-[2,2-di-chloro-1-(4-nitro-phen-yl)ethen-yl]diazene and ()-1-(4-chloro-phen-yl)-2-[2,2-di-chloro-1-(4-nitro-phen-yl)ethen-yl]diazene.

In the two isotypic title compounds, CHBrClNO, (), and CHClNO, (), the substitution of one of the phenyl rings is different [Br for () and Cl for ()]. Aromatic rings form dihedral angles of 60.9 (2) and 64.

Crystal structure and Hirshfeld surface analysis of ()-4-{[2,2-di-chloro-1-(4-meth-oxy-phen-yl)ethen-yl]diazen-yl}benzo-nitrile.

In the title compound, CHClNO, the 4-meth-oxy-substituted benzene ring makes a dihedral angle of 41.86 (9)° with the benzene ring of the benzo-nitrile group. In the crystal, mol-ecules are linked into layers parallel to (020) by C-H⋯O contacts and face-to-face π-π stacking inter-actions [centroid-centroid distances = 3.

Crystal structure and Hirshfeld surface analysis of ()-1-(4-chloro-phen-yl)-2-[2,2-di-chloro-1-(4-fluoro-phen-yl)ethen-yl]diazene.

In the title compound, CHClFN, the planes of the 4-fluoro-phenyl ring and the 4-chloro-phenyl ring make a dihedral angle of 56.13 (13)°. In the crystal, mol-ecules are stacked in a column along the axis a weak C-H⋯Cl hydrogen bond and face-to-face π-π stacking inter-actions [centroid-centroid distances = 3.

Crystal structure and Hirshfeld surface analysis of dimethyl (1*,3a*,3a *,6a*,9*,9a*)-3a,5,6,9a-tetra-hydro-1,4,9-1,3a:6a,9-di-epoxy-phenalene-2,3-di-carboxyl-ate.

The title di-epoxy-phenalene derivative, CHO, comprises a fused cyclic system containing four five-membered rings (two di-hydro-furan and two tetra-hydro-furan) and one six-membered ring (cyclo-hexa-ne). The five-membered di-hydro-furan and tetra-hydro-furan rings adopt envelope conformations, and the six-membered cyclo-hexane ring adopts a distorted chair conformation. Two methyl carboxyl-ate groups occupy adjacent positions (2- and 3-) on a tetra-hydro-furan ring.

Crystal structure and Hirshfeld surface analysis of ()-3-[(4-fluoro-benzyl-idene)amino]-5-phenyl-thia-zolidin-2-iminium bromide.

In the cation of the title salt, CHFNS·Br, the phenyl ring is disordered over two sets of sites with a refined occupancy ratio of 0.503 (4):0.497 (4).

Crystal structure of [1,3-bis-(2,4,6-tri-methyl-phen-yl)imidazolidin-2-yl-idene]di-chlorido-{2-[1-(di-methyl-amino)-eth-yl]benzyl-idene}ruthenium including an unknown solvate.

The title compound, [RuCl(CHN)(CHN)], is an example of a new generation of ,-dialkyl metallocomplex ruthenium catalysts with an N→Ru coordination bond as part of a six-membered chelate ring. The Ru atom has an Addison τ parameter of 0.234, which indicates a geometry inter-mediate between square-based pyramidal and trigonal-bipyramidal.

Crystal structure and Hirshfeld surface analysis of ()-1-[2,2-di-chloro-1-(4-nitro-phen-yl)ethen-yl]-2-(4-fluoro-phen-yl)diazene.

In the title compound, CHClFNO, the 4-fluoro-phenyl ring and the nitro-substituted benzene ring form a dihedral angle of 63.29 (8)°. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds into chains running parallel to the axis.

Crystal structure and Hirshfeld surface analysis of dimethyl (3a,6,6a,7)-2-(2,2,2-tri-fluoro-acet-yl)-2,3-di-hydro-1,6,7-3a,6:7,9a-di-epoxy-benzo[]iso-quinoline-3a,6a-di-carboxyl-ate.

The title mol-ecule, CHFNO, comprises a fused cyclic system containing four five-membered (two di-hydro-furan and two tetra-hydro-furan) rings and one six-membered (piperidine) ring. The five-membered di-hydro-furan and tetra-hydro-furan rings adopt envelope conformations, and the six-membered piperidine ring adopts a distorted chair conformation. Intra-molecular OF inter-actions help to stabilize the conformational arrangement.

IMDAV reaction between phenyl-maleic anhydride and thien-yl(fur-yl)allyl-amines: synthesis and mol-ecular structure of (3a,4,4a,7a)-5-oxothieno- and (3a,4,4a,7a)-5-oxofuro[2,3-]iso-indole-4-carb-oxy-lic acids.

The title compounds CHNOS, , and CHNO, , are the products of the IMDAV reaction between phenyl-maleic anhydride and thien-yl(fur-yl)allyl-amines. Their mol-ecular structures comprise fused tricyclic systems containing thio-phene, cyclo-hexene and pyrrolidine rings () or furan, cyclo-hexene and pyrrolidine rings (). The central cyclo-hexene and pyrrolidine rings in both compounds adopt slightly twisted boat and envelope conformations, respectively.

Crystal structure and Hirshfeld surface analysis of ()-5-phenyl-3-[(pyridin-4-yl-methyl-idene)amino]-thia-zolidin-2-iminium bromide monohydrate.

In the cation of the title salt, CHNS·Br·HO, the central thia-zolidine ring adopts an envelope conformation with puckering parameters (2) = 0.279 (4) Å and φ(2) = 222.5 (9)°.

Crystal structure and Hirshfeld surface analysis of ()-3-[(2,3-di-chloro-benzyl-idene)amino]-5-phenyl-thia-zolidin-2-iminium bromide.

In the cation of the title salt, CHClNS·Br, the central thia-zolidine ring adopts an envelope conformation. The phenyl ring is disordered over two sites with a refined occupancy ratio of 0.541 (9):0.

Three-component reaction between isatoic anhydride, amine and meth-yl-subs-tituted furyl-acryl-alde-hydes: crystal structures of 3-benzyl-2-[()-2-(5-methylfuran-2-yl)vin-yl]-2,3-di-hydro-quinazolin-4(1)-one, 3-benzyl-2-[()-2-(furan-2-yl)-1-methyl-vin-yl]-2,3-di-hydro-quinazolin-4(1)-one and 3-(furan-2-ylmeth-yl)-2-[()-2-(furan-2-yl)-1-methyl-vin-yl]-2,3-di-hydro-quinazolin-4(1)-one.

Compounds (I), CHNO, (II), CHNO and (III), CHNO are the products of three-component reactions between isatoic anhydride, the corresponding amine and 3-(5-methylfuran-2-yl)- or (furan-2-yl)-2-methyl-acryl-aldehyde. Compound (I) crystallizes in the monoclinic space group 2/, while compounds (II) and (III) are isostructural and crystallize in the ortho-rhom-bic space group . The tetra-hydro-pyrimidine ring in (I)-(III) adopts a conformation.

Crystal structure and Hirshfeld surface analysis of 3,3',3''-[(1,3,5-triazine-2,4,6-tri-yl)tris-(-oxy)]tris-(5,5-di-methyl-cyclo-hex-2-en-1-one).

The three cyclo-hexenone rings of the title compound, CHNO, adopt slightly distorted envelope conformations, with the C atom bearing two methyl groups as the flap atom in each case. These cyclo-hexenone mean planes form dihedral angles of 87.41 (11), 70.

Crystal structure and Hirshfeld surface analysis of ethane-1,2-diaminium 3-[2-(1,3-dioxo-1,3-di-phenyl-propan-2-yl-idene)hydrazin-yl]-5-nitro-2-oxido-benzene-sulfonate dihydrate.

In the anion of the title hydrated salt, CHN·CHNOS·2HO, the planes of the phenyl rings and the benzene ring of the 5-nitro-2-oxido-benzene-sulfonate group are inclined to one another by 44.42 (11), 56.87 (11) and 77.

Design of new anti-Alzheimer drugs: ring-expansion synthesis and synchrotron X-ray diffraction study of dimethyl 4-ethyl-11-fluoro-1,4,5,6,7,8-hexa-hydro-azonino[5,6-]indole-2,3-di-carboxyl-ate.

The title compound, CHFNO, is the product of a ring-expansion reaction from a seven-membered fluorinated hexa-hydro-azepine to a nine-membered azonine. The nine-membered azonine ring of the mol-ecule adopts a conformation. The C=C and C-N bond lengths [1.

Crystal structure of 3-benzyl-2-[()-2-(furan-2-yl)ethen-yl]-2,3-di-hydro-quinazolin-4(1)-one and 3-benzyl-2-[()-2-(thio-phen-2-yl)ethen-yl]-2,3-di-hydro-quinazolin-4(1)-one from synchrotron X-ray diffraction.

The chiral title compounds, CHNO, (I), and CHNOS, (II) - products of the three-component reaction between benzyl-amine, isatoic anhydride and furyl- or thienyl-acrolein - are isostructural and form isomorphous racemic crystals. The tetra-hydro-pyrimidine ring in (I) and (II) adopts a sofa conformation. The amino N atom has a trigonal-pyramidal geometry [sum of the bond angles is 347.

Crystal structures of (5)-()-4-[5-(furan-2-yl)-3-phenyl-4,5-di-hydro-1-pyrazol-1-yl]-4-oxobut-2-enoic acid and (5)-()-4-[5-(furan-2-yl)-3-(thio-phen-2-yl)-4,5-di-hydro-1-pyrazol-1-yl]-4-oxobut-2-enoic acid.

The title compounds, CHNO (I) and CHNOS (II), possess very similar mol-ecular geometries. In both mol-ecules, the central 1,3,5-tris-ubstituted di-hydro-pyrazole ring adopts an envelope conformation. The oxobutenoic acid fragment has an almost planar conformation [r.

A New Ceramide and Biflavonoid from the Leaves of Parinari hypochrysea (Chrysobalanaceae).

A new ceramide and a new biflavonoid named parinaramide (1) and sparinaritin (2), respectively, have been isolated along with ten known compounds, kaempferol, quercetin, taxifolin, taxifolin-3-O-rhamnoside, lupeol, betulinic acid, ursolic acid, 2α-hydroxy-ursolic acid, 2,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone, and sucrose, from the leaves of Parinari hypochrysea (Chrysobalanaceae). Structures were determined using 1D- and 2D-NMR, MS and by chemical analysis. The methanol extract of leaves, stem bark and roots of P.

Crystal structure of methyl (3RS,4SR,4aRS,11aRS,11bSR)-5-oxo-3,4,4a,5,7,8,9,10,11,11a-deca-hydro-3,11b-ep-oxy-azepino[2,1-a]iso-indole-4-carboxyl-ate.

The title compound, C15H19NO4, is the a product of the esterification of the corresponding carbonic acid with methanol. The mol-ecule comprises a fused tetra-cyclic system containing three five-membered rings (2-pyrrolidinone, tetra-hydro-furan and di-hydro-furan) and one seven-membered ring (azepane). The five-membered rings have the usual envelope conformations, with the quaternary C atom being the flap atom for the 2-pyrrolidinone ring, and the ether O atom being the common flap atom for the remaining rings.

rac-Methyl (3aR*,4S*,5R*,7aR*)-5,7a-bis-(acet-yloxy)-3-oxo-2-phenyl-octa-hydro-1H-iso-indole-4-carboxyl-ate.

The title molecule, C20H23NO7, the product of nucleophilic cleavage of the 3a,6-ep-oxy bridge in 1-oxo-2-phenyl-octa-hydro-3a,6-ep-oxy-iso-indole-7-carboxyl-ate, comprises a cis-fused bicyclic system containing a 2-pyrrolidinone ring in an envelope conformation (with the C atom bearing the carboxyl-ate substituent as the flap) and a cyclo-hexane ring in a chair conformation. The carboxyl-ate substituent occupies the equatorial position, whereas the two acet-yloxy substituents are in axial positions. The N atom has a trigonal-planar geometry, the sum of the bond angles being 359.