methyl octanoate

SMILES:
CCCCCCCC(=O)OC

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

Receptor log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR52D1 -1.09 2 0.0303 2, 6.599 3  anise, cheesy, orange, sweet, dairy, sour, rancid, waxy, tart, sharp
OR1G1 - 3.5533 3  waxy, tart, orange, sweet, aldehydic, fresh, citrus, clean, medicinal, anise
 

methyl octanoate

SMILES:
CCCCCCCC(=O)OC

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

Receptor Dock Score Affinity A100 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.
A100: A measure of the degree of activation of the receptor. See Ibrahim et al (2019).