Danthron

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

What is the Danthron?

The molecule Danthron presents a molecular formula of C₁₄H₈O₄ and its IUPAC name is 1,8-dihydroxyanthracene-9,10-dione.

Danthron is a chemical compound that is derived from the root of the plant Rubia tinctorum, also known as madder root. It has been used for centuries as a natural dye and has a number of potential health benefits..

One of the main active compounds in danthron is a chemical called danthronone, which has a number of potential health benefits. It is classified as a flavonoid, a type of chemical compound that belongs in plants and is known for its medicinal properties..

One of the main uses of danthron is as a natural dye. It is used to color a variety of products, including textiles, cosmetics, and food. It is known for its bright red color and is often used as a natural alternative to synthetic dyes..

In addition to its use as a natural dye, danthron has also been studied for its potential to treat a number of other health conditions. It has been shown to have antioxidant properties and may be effective in reducing oxidative stress in the body. It may also be helpful in reducing inflammation and supporting immune function..

While danthron is generally considered safe when taken as directed, it is important to note that it can cause side effects in some people, such as skin irritation and allergic reactions. It may also interact with certain medications, so it is always best to speak with a healthcare professional before using it..

Summary

From all the above, this molecule is a chemical compound that is derived from the root of the plant Rubia tinctorum. It has been used for centuries as a natural dye and has a number of potential health benefits, including antioxidant properties and the ability to reduce inflammation. While it is generally considered safe when taken as directed, it can cause side effects in some people and may interact with certain medications..

3D structure

Cartesian coordinates

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

2D drawing

Molecule descriptors

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.

Reference codes for other databases

• CAS number (Chemical Abstracts Service Registry Number) is a unique identifier is assigned to every chemical compound indexed in the CAS database.
• Beilstein: The Beilstein database is a comprehensive source of information on organic chemistry, including information on chemical structures, properties, and reactions. The Beilstein database assigns unique identifiers which can be used to identify compounds in scientific literature and other sources.
• ChEBI (Chemical Entities of Biological Interest): ChEBI is a database of small chemical molecules that are of interest in the field of biology.
• PubChem CID (Compound Identifier): PubChem is a database of chemical compounds that is maintained by the National Institutes of Health (NIH).
• RTECS number (Registry of Toxic Effects of Chemical Substances): The RTECS is a database of information on the toxic effects of chemicals, including information on their structures and properties.
• ChEMBL (Compound Bioactivity Data): ChEMBL is a database of bioactivity data for small molecules, including information on their properties and structures.
• CompTox Dashboard (Environmental Protection Agency): The CompTox Dashboard is a database of information on the toxicology and environmental effects of chemicals.

Physico-Chemical properties

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

The n-octanol/water partition coeficient (K_ow) data is applied in toxicology and drug research. K_ow 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(K_ow) (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 Ų are required. Thus, molecules with a polar surface area greater than 140 Ų tend to be poorly permeable to cell membranes.