Structure & Deep Data of Licarine A (C20H22O4)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The licarine A molecule contains a total of 48 bond(s). There are 26 non-H bond(s), 13 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 12 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 nine-membered ring(s), 1 aromatic hydroxyl(s), and 3 ether(s) (aromatic). Images of the chemical structure of licarine A are given below:

The 2D chemical structure image of licarine A is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of licarine A 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 licarine A 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 licarine A. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Licarine A Molecule

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

  The SMILES string of licarine A is COc1cc(ccc1O)C3Oc2c(OC)cc(C=CC)cc2C3C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the licarine A.

• Structure Data File (SDF/MOL File) of licarine A

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

• Chemical formula of licarine A

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

• Molecular weight of licarine A

  The molecular weight of licarine A is available in molecular weight page of licarine A, 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 licarine A

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

  • trans-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-methyl-5-(E)-propenylbenzofurane
  • trans-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-methyl-5-(E)-propenylbenzofuran
  • Phenol,4-[(2R,3R)-2,3-dihydro-7-methoxy-3-methyl-5-(1E)-1-propen-1-yl-2-benzofuranyl]-2-methoxy-,rel-
  • Phenol, 4-((2R,3R)-2,3-dihydro-7-methoxy-3-methyl-5-(1E)-1-propenyl-2-benzofuranyl)-2-methoxy-
  • 2-methoxy-4-[(2R,3R)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol
  • 2,3-Dihydro-2beta-guaiacyl-3alpha-methyl-5-(1-propenyl)-7-methoxybenzofuran
  • BDBM50303150
  • 2680-81-1
  • (+)-licarin A
  • 51020-86-1

  • Dehydrodiisoeugenol
  • (-)-Licarin A
  • licarine A

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Licarine A Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of licarine A?
C20H22O4
How many atoms and what are the elements included the licarine A molecule?
46 atom(s) - 22 Hydrogen atom(s), 20 Carbon atom(s), and 4 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the licarine A structure?
48 bond(s) - 26 non-H bond(s), 13 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 12 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 nine-membered ring(s), 1 aromatic hydroxyl(s), and 3 ether(s) (aromatic)
What’s the licarine A’s molecular weight?
326.38628 g/mol
What’s the SMILES code of licarine A?
COc1cc(ccc1O)C3Oc2c(OC)cc(C=CC)cc2C3C
What’s the InChI string of licarine A?
InChI=1S/C20H22O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-12,19,21H,1-4H3/b6-5+/t12-,19-/m1/s1
What’s the InChIKey code of licarine A?
ITDOFWOJEDZPCF-OTBILJLCSA-N

257 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).