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SMILES:
CCCCCC=CCCC=O

Aroma Description:
aldehydic, citrus, fatty, fresh, green, mandarin, orange, tangerine1

Receptor log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR1A2 -5.78 2, -5.78 3 5 3  citrus, orange_peel, aldehydic, melon, waxy, ozone, orange, lime
OR1A1 -5.6 2, -5.6 3 4.5 3  herbal, caraway, passionfruit, spearmint, weedy, orange, hay, fresh, waxy, citrus
 

SMILES:
CCCCCC=CCCC=O

Aroma Description:
aldehydic, citrus, fatty, fresh, green, mandarin, orange, tangerine

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.) Silva Teixeira CS, Silva Ferreira AC, Cerqueira NM. Studying Haloanisoles Interaction with Olfactory Receptors. ACS Chem Neurosci. 2016 Jul 20;7(7):870-85. doi: 10.1021/acschemneuro.5b00335. Epub 2016 May 9. PMID: 27092849.

3.) Schmiedeberg K, Shirokova E, Weber HP, Schilling B, Meyerhof W, Krautwurst D. Structural determinants of odorant recognition by the human olfactory receptors OR1A1 and OR1A2. J Struct Biol. 2007 Sep;159(3):400-12. doi: 10.1016/j.jsb.2007.04.013. Epub 2007 May 25. PMID: 17601748.