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6-[(2E)-3,7-Dimethyl-octa-2,6-dien-1-yl]-5,7-dihy-droxy-8-(2-methyl-butano-yl)-4-phenyl-2H-chromen-2-one-6-[(2E)-3,7-dimethyl-octa-2,6-dien-1-yl]-5,7-dihy-droxy-8-(3-methyl-butano-yl)-4-phenyl-2H-chromen-2-one (1/1) from Mesua elegans.

ABSTRACT: The title co-crystal, C(30)H(34)O(5)·C(30)H(34)O(5), comprises a 1:1 mixture of two mostly superimposed mol-ecules with the same chemical formula that differ in the nature of the substituent (2-methyl-butanoyl or 3-methyl-butano-yl) bound at the exocyclic ketone. The lactone ring is close to planar (r.m.s. deviation = 0.058 Å) and the phenyl ring is twisted out of this plane [dihedral angle = 60.08 (9)°]. The geranyl substituent is almost normal to benzene ring to which it is connected [C-C-C(ar)-C(ar) (ar = aromatic) torsion angle = -87.8 (2)°]. Intra-molecular O-H⋯O and O-H⋯π inter-actions are formed. In the crystal, supra-molecular chains are formed along the a axis owing to C-H⋯O contacts, with the lactone carbonyl atom accepting two such bonds.

SUBMITTER: Chan G

PROVIDER: S-EPMC3343921 | biostudies-literature |

REPOSITORIES: biostudies-literature

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6-[(E)-3,7-Dimethyl-octa-2,6-dien-yl]-5,7-dihydr-oxy-8-(2-methyl-butano-yl)-4-phenyl-2H-chromen-2-one from Mesua kunstleri King (Kosterm).

Project description:The title compound, C(30)H(34)O(5), crystallizes with two symmetry-independent mol-ecules in the asymmetric unit. In the crystal structure, the two independent mol-ecules are disposed about a pseudo-center of inversion. An intra-molecular O-H?O hydrogen bond is observed in each independent mol-ecule. The crystal structure is stabilized by C-H?O hydrogen bonds.

| S-EPMC2961863 | biostudies-other

N'-[(1E,2E)-3,7-Dimethyl-octa-2,6-dien-1-yl-idene]pyridine-4-carbohydrazide.

Project description:In the title compound, C(16)H(21)N(3)O, the mol-ecule adopts an E conformation about the central C=N double bond. The 2-methyl-pent-2-ene group is disordered over two sets of sites, with a refined occupancy ratio of 0.785?(8):0.215?(8). The dihedral angle between the essentially planar [the r.m.s. value for the major component is 0.021?(7) and its maximum deviation is 0.025?(4)?Å; the r.m.s. value for the minor component is 0.03?(4) and its maximum deviation is 0.05?(3)?Å] major and minor components of the 2-methyl-but-2-ene group is 35.9?(13)°. In the crystal, C-H?O and N-H?O hydrogen bonds link the molecules, with the same O atom acting as the acceptor. This results in C(1) (1)(4) and C(1) (1)(5) [001] chains.

| S-EPMC3344089 | biostudies-other

(5,7-Dimethyl-2-oxo-2H-chromen-4-yl)methyl pyrrolidine-1-carbodithio-ate.

Project description:In the title compound, C(17)H(19)NO(2)S(2), the 2H-chromene ring system is almost planar, with a maximum deviation of 0.044?(2)?Å, and the pyrrolidine ring adopts an envelope conformation. The dihedral angle between the 2H-chromene system and the planar part of the pyrrolidine ring is 83.65?(8)°. A weak intra-molecular C-H?S hydrogen bond occurs. The crystal structure features C-H?O hydrogen bonds and ?-? inter-actions, with a centroid-centroid distance of 3.5728?(16)?Å.

| S-EPMC3379197 | biostudies-literature

5,7-Dihy-droxy-2-(3-hy-droxy-4,5-dimeth-oxy-phen-yl)-6-meth-oxy-4H-chromen-4-one.

Project description:The title compound, C18H16O8, was isolated from the plant Artemisia baldshuanica Krasch et Zarp. The mol-ecule is approximately planar, with the exception of the terminal methyl groups, the C atoms of which devitate from their attached ring planes by 1.243?(5) and 1.168?(5)?Å. The dihedral angle between the substituted benzopyran and benzene rings is 5.8?(1)°; this near planarity could be due to conjugation or a packing effect. Intra-molecular O-H?O and C-H?O hydrogen bonds occur. In the crystal, mol-ecules are connected by O-H?O hydrogen bonds involving the hy-droxy and carbonyl groups, forming hydrogen-bonded chains along [001] and [1-10]. The chains are linked by C-H?O inter-actions.

| S-EPMC3629625 | biostudies-literature

4-Hydr-oxy-3-[(2E)-3-(3,4,5-trimethoxy-phen-yl)prop-2-eno-yl]-2H-chromen-2-one.

Project description:A new chalcone of the coumarin, C(21)H(18)O(7), containing an annulated ?-pyrone ring, was obtained by condensation of the borate complex of ac-yl(hydr-oxy)coumarin with trimethoxy-benzaldehyde. The structure exhibits intra-molecular hydrogen bonding between the hydroxyl oxygen and the ketonic oxygen in the coumarin group. The bicyclic coumarin fragment and the benzene ring form a dihedral angle of 17.1?(4)°. The crystal packing involves dimers inter-connected by C-H?O hydrogen bonding.

| S-EPMC2969351 | biostudies-literature

(5,7-Dimethyl-2-oxo-2H-chromen-4-yl)methyl diethyl-dithio-carbamate.

Project description:In the title compound, C(17)H(21)NO(2)S(2), the coumarin ring system is nearly planar, with a maximum deviation of 0.080?(2)?Å from the mean plane. An intra-molecular C-H?S hydrogen bond occurs. The crystal structure features C-H?S hydrogen bonds and weak ?-? inter-actions with a centroid-centroid distance of 3.679?(1)?Å.

| S-EPMC3379255 | biostudies-other

8-Iodo-5,7-dimeth-oxy-4-methyl-2H-chromen-2-one.

Project description:In the title compound, C(12)H(11)IO(4), the C and O atoms of both meth-oxy groups lie very close to the mean plane of the six C atoms of the benzene ring. The O and C atoms of the group lying closest to the I atom are 0.012 (3) and 0.022 (4) Å, respectively, out of the mean plane. For the other meth-oxy group, the corresponding distances are 0.020 (3) and 0.078 (4) Å. In the crystal, there are only very weak inter-molecular C-H⋯O hydrogen bonds and O⋯I contacts [3.080 (2) Å]. The mol-ecules are approximately parallel to (100), forming a layered structure.

| S-EPMC3099918 | biostudies-literature

1-(5,7-Dihy-droxy-2,2-dimethylchroman-6-yl)ethanone.

Project description:In the title mol-ecule, C(13)H(16)O(4), the pyran ring is in a half-chair conformation. There is an intra-molecular hydrogen bond involving the ketone O atom and an H atom of a phenol group which forms an S(6) ring. The ketone O atom is also involved in an inter-molecular hydrogen bond with a different phenolic H atom of a symmetry-related mol-ecule, forming C(6) chains along the c-axis direction.

| S-EPMC3239049 | biostudies-literature

3-[(E)-3,7-Dimethyl-octa-2,6-dien-yl]-5-methyl-N-nitro-1,3,5-oxadiazinan-4-imine.

Project description:The title compound, C(14)H(24)N(4)O(3), was synthesized by the reaction of geranyl and 3-methyl-4-nitro-imino-1,3,5-oxadiazinane. In the crystal structure, mol-ecules are assembled by weak inter-molecular C-H?O hydrogen bonds. The nitryl and the long carbon chain are located on the same side of the C=N bond due to the two weak intra-molecular C-H?N hydrogen bonds; the configuration of the oxadiazinane is Z.

| S-EPMC2961447 | biostudies-other

4-Hy-droxy-3-[(4-hy-droxy-2-oxo-2H-3-chromen-yl)(3-thien-yl)meth-yl]-2H-chromen-2-one.

Project description:The whole mol-ecule of the title compound, C(23)H(14)O(6)S, is disordered over two sets of sites with refined occupancies of 0.8733?(12):0.1267?(12). The dihedral angle between the mean planes through the chromene ring systems is 56.31?(5) and 55.2?(3)° for the major and minor components, respectively. In both components, a pair of intra-molecular O-H?O inter-actions generate rings of S(8) graph-set motif. In the crystal, the mol-ecules are linked by inter-molecular C-H?O inter-actions, forming chains along the b axis. The structure is further stabilized by ?-? inter-actions with centroid-centroid distances of 3.594?(2) and 3.608?(5)?Å.

| S-EPMC3089123 | biostudies-literature

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