Structure & Deep Data of Kumatakenin (C17H14O6)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Kumatakenin molecule contains a total of 39 bond(s). There are 25 non-H bond(s), 14 multiple bond(s), 3 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 3 six-membered ring(s), 1 ten-membered ring(s), 1 ketone(s) (aromatic), 2 aromatic hydroxyl(s), 1 ether(s) (aliphatic), and 2 ether(s) (aromatic). Images of the chemical structure of Kumatakenin are given below:

The 2D chemical structure image of Kumatakenin is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Kumatakenin are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of Kumatakenin is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Kumatakenin. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Kumatakenin Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Kumatakenin

  The SMILES string of Kumatakenin is COc2cc(O)c1c(=O)c(OC)c(oc1c2)c3ccc(O)cc3, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Kumatakenin.

• Structure Data File (SDF/MOL File) of Kumatakenin

  The structure data file (SDF/MOL File) of Kumatakenin is available for download in the SDF page of Kumatakenin, which provides the information about the atoms, bonds, connectivity and coordinates of Kumatakenin. The Kumatakenin structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Kumatakenin

  The molecular formula of Kumatakenin is available in chemical formula page of Kumatakenin, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Kumatakenin

  The molecular weight of Kumatakenin is available in molecular weight page of Kumatakenin, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of Kumatakenin

  The Kumatakenin compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Kumatakenin including the various registry numbers, if available:

  • 4H-1-Benzopyran-4-one,5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-
  • 5-Hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-4H-chromen-4-one #
  • 5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-chromen-4-one
  • 5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxychromen-4-one
  • 4CN-1330
  • 4',5-Dihydroxy-3,7-dimethoxyflavone
  • LMPK12112690
  • Kaempferol 3,7-dimethyl ether
  • 3,7-Di-O-methyl kaempferol
  • Flavone, 4',5-dihydroxy-3,7-dimethoxy-

  • 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-
  • 5FAQ11412T
  • 5,4'-dihydroxy-3,7-dimethoxyflavone
  • 3301-49-3
  • Kumatakillin
  • Jaranol
  • Kumatakenin

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Kumatakenin Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Kumatakenin?
C17H14O6
How many atoms and what are the elements included the Kumatakenin molecule?
37 atom(s) - 14 Hydrogen atom(s), 17 Carbon atom(s), and 6 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Kumatakenin structure?
39 bond(s) - 25 non-H bond(s), 14 multiple bond(s), 3 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 3 six-membered ring(s), 1 ten-membered ring(s), 1 ketone(s) (aromatic), 2 aromatic hydroxyl(s), 1 ether(s) (aliphatic), and 2 ether(s) (aromatic)
What’s the Kumatakenin’s molecular weight?
314.28946 g/mol
What’s the SMILES code of Kumatakenin?
COc2cc(O)c1c(=O)c(OC)c(oc1c2)c3ccc(O)cc3
What’s the InChI string of Kumatakenin?
InChI=1S/C17H14O6/c1-21-11-7-12(19)14-13(8-11)23-16(17(22-2)15(14)20)9-3-5-10(18)6-4-9/h3-8,18-19H,1-2H3
What’s the InChIKey code of Kumatakenin?
BJBUTJQYZDYRMJ-UHFFFAOYSA-N

93 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).