ethyl caproate

ethyl hexanoate

SMILES:
CCCCCC(=O)OCC

Aroma Description:
banana, fruity, green, pineapple, sweet, waxy¹

Receptor	log10 EC₅₀	Adj. Top	Correlated Perceptual Qualities
OR1A1	-4.45 ³	-	herbal, caraway, passionfruit, spearmint, weedy, orange, hay, fresh, waxy, citrus
OR2W1	-3.511 ⁴	-	fatty, sweet, herbal, cucumber, orange, tart, mimosa, spicy, coumarinic, passionfruit
OR52D1	-	4.0609 ²	anise, cheesy, orange, sweet, dairy, sour, rancid, waxy, tart, sharp
OR1G1	-	0.2538 ²	waxy, tart, orange, sweet, aldehydic, fresh, citrus, clean, medicinal, anise

ethyl hexanoate

SMILES:
CCCCCC(=O)OCC

Aroma Description:
banana, fruity, green, pineapple, sweet, waxy

Receptor	Agonist?	Dock Score	Pose1	LSRB - LSP	Correlated Perceptual Qualities

Dock Score: This is a measure of whether the algorithm thinks the odorant is an agonist of the receptor.
Affinity: The binding affinity, in kJ/mol, of the ligand docked in the active or inactive model, whichever is greater.
LSP: Ligand Surface Polarity, i.e. how much of the ligand's surface is hydrophilic.
LSRB: Ligand Surface Receptor Binding, i.e. how much of the ligand's surface interacts with receptor atoms.

1.) The Good Scents Company

2.) Guenhael Sanz, Claire Schlegel, Jean-Claude Pernollet and Loic Briand Comparison of Odorant Specificity of Two Human Olfactory Receptors from Different Phylogenetic Classes and Evidence for Antagonism Chemical Senses vol. 30 no. 1 (2005) doi:10.1093/chemse/bji002

3.) Christiane Geithe, Franziska Noe, Johanna Kreissl, Dietmar Krautwurst, The Broadly Tuned Odorant Receptor OR1A1 is Highly Selective for 3-Methyl-2,4-nonanedione, a Key Food Odorant in Aged Wines, Tea, and Other Foods, Chemical Senses, Volume 42, Issue 3, 1 March 2017, Pages 181–193, https://doi.org/10.1093/chemse/bjw117

4.) Franziska Haag, Antonella Di Pizio, Dietmar Krautwurst, The key food odorant receptive range of broadly tuned receptor OR2W1. Food Chemistry 375 (2022) 131680

primaryodors.org