Structure & Deep Data of Gossypetin 3,8,3'-trimethyl ether (C18H16O8)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Gossypetin 3,8,3'-trimethyl ether molecule contains a total of 44 bond(s). There are 28 non-H bond(s), 14 multiple bond(s), 4 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), 3 aromatic hydroxyl(s), 1 ether(s) (aliphatic), and 3 ether(s) (aromatic). Images of the chemical structure of Gossypetin 3,8,3'-trimethyl ether are given below:

The 2D chemical structure image of Gossypetin 3,8,3'-trimethyl ether is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Gossypetin 3,8,3'-trimethyl ether 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 Gossypetin 3,8,3'-trimethyl ether 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 Gossypetin 3,8,3'-trimethyl ether. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Gossypetin 3,8,3'-trimethyl ether Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Gossypetin 3,8,3'-trimethyl ether

  The SMILES string of Gossypetin 3,8,3'-trimethyl ether is COc1cc(ccc1O)c3oc2c(OC)c(O)cc(O)c2c(=O)c3OC, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Gossypetin 3,8,3'-trimethyl ether.

• Structure Data File (SDF/MOL File) of Gossypetin 3,8,3'-trimethyl ether

  The structure data file (SDF/MOL File) of Gossypetin 3,8,3'-trimethyl ether is available for download in the SDF page of Gossypetin 3,8,3'-trimethyl ether, which provides the information about the atoms, bonds, connectivity and coordinates of Gossypetin 3,8,3'-trimethyl ether. The Gossypetin 3,8,3'-trimethyl ether structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Gossypetin 3,8,3'-trimethyl ether

  The molecular formula of Gossypetin 3,8,3'-trimethyl ether is available in chemical formula page of Gossypetin 3,8,3'-trimethyl ether, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Gossypetin 3,8,3'-trimethyl ether

  The molecular weight of Gossypetin 3,8,3'-trimethyl ether is available in molecular weight page of Gossypetin 3,8,3'-trimethyl ether, 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 Gossypetin 3,8,3'-trimethyl ether

  The Gossypetin 3,8,3'-trimethyl ether compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Gossypetin 3,8,3'-trimethyl ether including the various registry numbers, if available:

  • 4H-1-BENZOPYRAN-4-ONE,5,7-DIHYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)-3,8-DIMETHOXY-
  • 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,8-dimethoxychromen-4-one
  • 3,3',8-Trimethoxy-4',5,7-trihydroxyflavone
  • 14965-08-3
  • LMPK12113245
  • 5,7,4'-Trihydroxy-3,8,3'-trimethoxyflavone
  • Gossypetin 3,8,3'-trimethyl ether

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Gossypetin 3,8,3'-trimethyl ether Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Gossypetin 3,8,3'-trimethyl ether?
C18H16O8
How many atoms and what are the elements included the Gossypetin 3,8,3'-trimethyl ether molecule?
42 atom(s) - 16 Hydrogen atom(s), 18 Carbon atom(s), and 8 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Gossypetin 3,8,3'-trimethyl ether structure?
44 bond(s) - 28 non-H bond(s), 14 multiple bond(s), 4 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), 3 aromatic hydroxyl(s), 1 ether(s) (aliphatic), and 3 ether(s) (aromatic)
What’s the Gossypetin 3,8,3'-trimethyl ether’s molecular weight?
360.31484 g/mol
What’s the SMILES code of Gossypetin 3,8,3'-trimethyl ether?
COc1cc(ccc1O)c3oc2c(OC)c(O)cc(O)c2c(=O)c3OC
What’s the InChI string of Gossypetin 3,8,3'-trimethyl ether?
InChI=1S/C18H16O8/c1-23-12-6-8(4-5-9(12)19)15-18(25-3)14(22)13-10(20)7-11(21)16(24-2)17(13)26-15/h4-7,19-21H,1-3H3
What’s the InChIKey code of Gossypetin 3,8,3'-trimethyl ether?
XZGZRRSEIISPEP-UHFFFAOYSA-N

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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).