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SMILES:
CCCCCC=CCCC=O

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

Receptor Expression log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR1A2 19 -5.78 2, -5.78 3 -  citrus, waxy, aldehydic, orange, fresh, orange_peel, tart, rose, sweet, floral
OR1A1 73 -5.6 2, -5.6 3 -  sweet, citrus, fresh, rose, herbal, waxy, orange, spearmint, floral, aldehydic
 

SMILES:
CCCCCC=CCCC=O

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

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.) 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.
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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