☰
 

SMILES:
CCCCCOC(=O)C

Aroma Description:
banana, fruity, solvent, sweet, apple, banana, ethereal, fruity, pear1

Receptor log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR4E2 -3 3 -  solvent, cork_taint, storax, cortex, pear, foliage, ethereal, banana
OR2J3 -5.44 2 0.3362 2  passionfruit, foliage, blackcurrant, currant, grassy, juicy, tart, warm, soapy, cinnamon
OR2F1 -1.62 2 0.0318 2  acetone, carnation, malty
OR10G3 -1.4 2 0.2041 2  vanilla, chocolate, creamy
OR14A2 -1.05 2 0.0294 2  cilantro
 

SMILES:
CCCCCOC(=O)C

Aroma Description:
banana, fruity, solvent, sweet, apple, banana, ethereal, fruity, pear

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).

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.) J.D. Mainland, A. Keller, Y.R. Li, T. Zhou, C. Trimmer, L.L. Snyder, A.H. Moberly, K.A. Adipietro, W.L.L. Liu, H. Zhuang et al, The missense of smell: functional variability in the human odorant receptor repertoire, Nat. Neurosci. 17 (2014) 114-120