Browse
Submit Data
Databases
API
Help

Dataset Information

15 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

5,7-Dihydr-oxy-3,6,8-trimethoxy-flavone.

ABSTRACT:

The title compound (systematic name

5,7-dihydr-oxy-3,6,8-trimeth-oxy-4H-chromen-4-one), C(18)H(16)O(7), is a flavone that was isolated from Ainsliaea henryi. There are two mol-ecules in the asymmetric unit, one of which has a disordered meth-oxy group [occupancy ratio 0.681 (9):0.319 (9)]. Both mol-ecules have an intra-molecular O-H⋯O hydrogen bond. In the crystal, mol-ecules are linked into O-H⋯O hydrogen-bonded chains parallel to [110].

SUBMITTER: Xiong HP

PROVIDER: S-EPMC2971965 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Hexaaqua-(5,7-dihydr-oxy-4-oxo-2-phenyl-4H-chromene-8-sulfonato)calcium(II) 5,7-dihydr-oxy-4-oxo-2-phenyl-4H-chromene-8-sulfonate trihydrate.

Project description:In the title compound, [Ca(C(15)H(9)O(7)S)(H(2)O)(6)](C(15)H(9)O(7)S)·3H(2)O, the Ca centre has a distorted deca-hedral geometry, coordinated by six O atoms from water mol-ecules and one sulfonate O atom. The crystal structure is stabilized by aromatic π-π inter-actions, with centroid-centroid distances of 3.765 (5) and 3.896 (5) Å between the phenyl ring and the benzene ring of the chromene unit of neighbouring mol-ecules. In addition, the stacked mol-ecules exhibit inter- and intra-molecular O-H⋯O hydrogen bonds, including the uncoordinated water mol-ecules.

| S-EPMC2959999 | biostudies-literature

2,4-Dihydr-oxy-N'-(3,4,5-trimethoxy-benzyl-idene)benzohydrazide.

Project description:In the title compound, C(17)H(18)N(2)O(6), the mol-ecule is slightly twisted, with a dihedral angle of 18.1?(2)° between the two benzene rings. In the crystal structure, mol-ecules are linked into a network by inter-molecular N-H?O, O-H?N and O-H?O hydrogen bonds. An intra-molecular O-H?O hydrogen bond is also present.

| S-EPMC2970187 | biostudies-other

Poly[(?-5,7-dihydr-oxy-4-oxo-2-phenyl-4H-chromene-8-sulfonato)potassium(I)].

Project description:In the polymeric title compound, [K(C(15)H(9)O(7)S)](n), the potassium cation is five-coordinated by four sulfonate O atoms and one carbonyl O atom. Two intra-molecular O-H?O hydrogen bonds stabilize the conformation of the anion. The polymeric three-dimensional supra-molecular architecture is formed via coordination inter-actions and ?-? stacking inter-actions involving centrosymmetrically related pyrone rings, with a centroid-centroid separation of 3.513?(2)?Å.

| S-EPMC2967906 | biostudies-other

Molecular interaction studies of trimethoxy flavone with human serum albumin.

Project description:BACKGROUND: Human serum albumin (HSA) is the most abundant protein in blood plasma, having high affinity binding sites for several endogenous and exogenous compounds. Trimethoxy flavone (TMF) is a naturally occurring flavone isolated from Andrographis viscosula and used in the treatment of dyspepsia, influenza, malaria, respiratory functions and as an astringent and antidote for poisonous stings of some insects. METHODOLOGY/PRINCIPAL FINDINGS: The main aim of the experiment was to examine the interaction between TMF and HSA at physiological conditions. Upon addition of TMF to HSA, the fluorescence emission was quenched and the binding constant of TMF with HSA was found to be K(TMF) = 1.0+/-0.01x10(3) M(-1), which corresponds to -5.4 kcal M(-1) of free energy. Micro-TOF Q mass spectrometry results showed a mass increase of from 66,513 Da (free HSA) to 66,823 Da (HAS +Drug), indicating the strong binding of TMF with HSA resulting in decrease of fluorescence. The HSA conformation was altered upon binding of TMF to HSA with decrease in alpha-helix and an increase in beta-sheets and random coils suggesting partial unfolding of protein secondary structure. Molecular docking experiments found that TMF binds strongly with HSA at IIIA domain of hydrophobic pocket with hydrogen bond and hydrophobic interactions. Among which two hydrogen bonds are formed between O (19) of TMF to Arg 410, Tyr 411 and another one from O (7) of TMF to Asn 391, with bond distance of 2.1 A, 3.6 A and 2.6 A, respectively. CONCLUSIONS/SIGNIFICANCE: In view of the evidence presented, it is imperative to assign a greater role of HSA's as a carrier molecule for many drugs to understand the interactions of HSA with TMF will be pivotal in the design of new TMF-inspired drugs.

| S-EPMC2809094 | biostudies-literature

6,6'-Dihydr-oxy-3,3'-dithio-dibenzoic acid.

Project description:In the title compound, C(14)H(10)O(6)S(2), the dihedral angle between the planes of the two phenyl-ene rings is 55.9?(1)°. Both hydr-oxy groups form intra-molecular hydrogen bonds; however, one of them also engages in inter-molecular hydrogen bonding. In the crystal, mol-ecules are connected into helical chains by O-H?O hydrogen bonds. The crystal studied was an inversion twin with a domain ratio of 0.51?(13):0.49?(13).

| S-EPMC2969348 | biostudies-literature

Methyl 5,7-dihydr-oxy-2,2,9-trimethyl-6,11-dioxo-6,11-dihydro-2H-anthra[2,3-b]pyran-8-carboxyl-ate.

Project description:The title compound, C(22)H(18)O(7), also known as laurentiquinone B, is a new anthraquinone which was isolated from Vismia laurentii, a Cameroonian medicinal plant. The asymmetric unit contains two independent mol-ecules. Each of them contains four fused rings, three of which are coplanar and typical of anthracene, while the heterocyclic rings adopt envelope conformations. Intra-molecular O-H?O hydrogen bonds result in the formation of two planar rings, which are also almost coplanar with the adjacent rings. In the crystal structure, inter-molecular O-H?O and C-H?O hydrogen bonds link the mol-ecules and a ?-? contact is also present [centroid-centroid distance = 3.967?(3)?Å].

| S-EPMC2960081 | biostudies-other

2,4-Dihydr-oxy-N'-(2-hydr-oxy-4-methoxy-benzyl-idene)benzohydrazide.

Project description:In the title compound, C(15)H(14)N(2)O(5), the dihedral angle between the two benzene rings is 4.3?(3)° and the mol-ecule adopts an E configuration with respect to the C=N bond. Intra-molecular O-H?N and N-H?O hydrogen bonds are observed. In the crystal structure, the mol-ecules are linked through inter-molecular N-H?O and O-H?O hydrogen bonds to form layers parallel to the ac plane.

| S-EPMC2979259 | biostudies-literature

3,5-Dihydr-oxy-N'-[(2-hydr-oxy-1-naph-thyl)methyl-ene]benzohydrazide.

Project description:In the title compound, C(18)H(14)N(2)O(4), the dihedral angle between the benzene ring and the naphthyl ring system is 10.1?(2)°. The mol-ecule is nearly planar, with a mean deviation from the plane of 0.141?(2)?Å for 24 non-H atoms. An intra-molecular O-H?N hydrogen bond forms a pseudo-6-membered ring and the mol-ecules are linked into sheets by inter-molecular N-H?O and O-H?O hydrogen bonds.

| S-EPMC2915176 | biostudies-literature

6,6'-Dihydr-oxy-2,2'-[(butane-1,4-diyldi-oxy)bis-(nitrilo-methyl-idyne)]diphenol.

Project description:The mol-ecule of the centrosymmetric title compound, C(18)H(20)N(2)O(6), assumes an E configuration with respect to the azomethine C=N bond. The imino group is coplanar with the aromatic ring. Intra-molecular O-H?O and O-H?N bonds are found between the hydroxyl groups and adjacent O (or N) atoms. In the crystal structure, inter-molecular O-H?O bonds link each mol-ecule to two others, forming a layered network.

| S-EPMC2959278 | biostudies-literature

5,6-Dihydr-oxy-1,10-phenanthrolin-1-ium chloride dihydrate.

Project description:The title compound, C(12)H(9)N(2)O(2) (+)·Cl(-)·2H(2)O, exhibits a layered structure which is stabilized by inter-molecular O-H?O, O-H?Cl(-) and N(+)-H?Cl(-) hydrogen bonds, and ?-? inter-actions (centroid-centroid distances = 3.654 and 3.583?Å). The distances between the molecules are 3.371 and 3.294?Å.

| S-EPMC2970196 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data