☰
 

methyl octanoate

SMILES:
CCCCCCCC(=O)OC

Aroma Description:
aldehydic, green, herbal, orange, sweet, vegetable, waxy1

Receptor Expression log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR52D1 100 -1.09 2 0.0303 2, 6.599 3  dairy, cheesy, anise, milky, creamy, sour, sharp, peach, rancid, lactonic
OR1G1 61 - 3.5533 3  sweet, waxy, citrus, tart, orange, fresh, aldehydic, rose, floral, fatty
 

methyl octanoate

SMILES:
CCCCCCCC(=O)OC

Aroma Description:
aldehydic, green, herbal, orange, sweet, vegetable, waxy

Receptor Expr.% Agonist? Dock Score Known agonist Correlated Perceptual Qualities

Dock Score is a measure of how strongly the algorithm thinks the odorant is likely to be an agonist of the receptor.
Receptors in italics are "orphans", i.e. receptors whose agonists have not been identified experimentally.

1.) The Good Scents Company

2.) Mainland JD, Li YR, Zhou T, Liu WL, Matsunami H. Human olfactory receptor responses to odorants. Sci Data. 2015 Feb 3;2:150002. doi: 10.1038/sdata.2015.2. PMID: 25977809; PMCID: PMC4412152.

3.) 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
×
 
 

Code version:
 

Docker used:
 

Files:
Active model: text 3D download
Inactive model: text 3D download
Active dock: text 3D download
Inactive dock: text 3D download
JSON entry: text   download