Sevitin

A summary of the most common chemical descriptors (InChI Key and SMILES codes) for Sevitin are summarized together with 3D and 2D structures and relevant physico-chemical properties.

What is the Sevitin?

The molecule Sevitin presents a molecular formula of C9H14N4O3 and its IUPAC name is (10S)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one.

Sevitin is a molecule that belongs to the family of flavonoids, which are a group of compounds found in a wide variety of plants and known for their antioxidant properties. Sevitin is a natural compound that has been isolated from the leaves of the Prunus spinosa, a type of blackthorn tree commonly found in Europe..

One of the main properties of sevitin is its ability to scavenge free radicals, which are highly reactive molecules that can damage cells and contribute to the development of various diseases, including cancer, cardiovascular disease, and neurodegenerative disorders. Sevitin has been shown to have potent antioxidant activity in a number of in vitro and in vivo studies, and it has been suggested that it may have potential as a therapeutic agent for the treatment of oxidative stress-related conditions..

In addition to its antioxidant properties, sevitin has also been found to have anti-inflammatory and antimicrobial effects. It has been shown to inhibit the production of pro-inflammatory cytokines in cells, and to reduce inflammation in animal models of inflammatory diseases such as asthma and rheumatoid arthritis. Sevitin has also been found to have antimicrobial activity against a variety of bacteria and fungi, and it has been suggested that it may have potential as a natural preservative in food and cosmetics..

Despite its potential benefits, sevitin is not widely used as a therapeutic agent or dietary supplement, and further research is needed to determine its safety and effectiveness in humans. More studies are needed to better understand the mechanisms underlying its various biological activities, and to evaluate its potential as a therapeutic agent for the treatment of oxidative stress and inflammation-related conditions..

Summary

From all the above, this molecule is a natural compound with a range of biological activities, including antioxidant, anti-inflammatory, and antimicrobial effects. While further research is needed to fully understand its potential as a therapeutic agent, sevitin may have potential as a natural supplement for the prevention and treatment of oxidative stress and inflammation-related conditions..

3D structure

Cartesian coordinates

Geometry of Sevitin in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing

 

Sevitin CQOVPNPJLQNMDC-ZETCQYMHSA-N chemical compound 2D structure molecule svg
Sevitin

 

Molecule descriptors

 
IUPAC name(10S)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one
InChI codeInChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1
InChI KeyCQOVPNPJLQNMDC-ZETCQYMHSA-N
SMILESNCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O

Other names (synonyms)

IUPAC nomenclature provides a standardized method for naming chemical compounds. Although this system is widely used in chemistry, many chemical compounds have also other names commonly used in different contexts. These synonyms can come from a variety of sources and are used for a variety of purposes.

One common source of synonyms for chemical compounds is the common or trivial names, assigned on the basis of appearance, properties, or origin of the molecule.

Another source of synonyms are historical or obsolete names employed in the past, however replaced nowadays by more modern or standardized names.

In addition to common and historical names, chemical compounds may also have synonyms that are specific to a particular field or industry.

  • Sevitin

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:

Physico-Chemical properties

IUPAC name(10S)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one
Molecular formulaC9H14N4O3
Molecular weight226.232
Melting point (ºC)
Boiling point (ºC)
Density (g/cm3)
Molar refractivity55.07
LogP0.0
Topological polar surface area121.1

LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.

The n-octanol/water partition coeficient (Kow) data is applied in toxicology and drug research. Kow values are used, to guess the environmental fate of persistent organic pollutants. High partition coefficients values, tend to accumulate in the fatty tissue of organisms. Molecules with a log(Kow) (or LogP) greater than 5 are considered to bioaccumulate.

TPSA values are the sum of the surface area over all polar atoms or molecules, mainly oxygen and nitrogen, also including hydrogen atoms.

In medicinal chemistry, TPSA is used to assess the ability of a drug to permeabilise cells.

For molecules to penetrate the blood-brain barrier (and act on receptors in the central nervous system), TPSA values below 90 Å2 are required. Thus, molecules with a polar surface area greater than 140 Å2 tend to be poorly permeable to cell membranes.