aldehyde C-8, octanal

SMILES:
CCCCCCCC=O

Aroma Description:
aldehydic, citrus, fatty, green, orange, peel, waxy1

Receptor Expression log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR2W1 53 -4.36 4, -5.45 10, -3.964 15 8 4, (agonist) 10  sweet, tart, hay, fatty, coumarinic, orange, peony, cinnamon, herbal, tonka
OR1A1 73 -6.41 6, -6.41 7 -  sweet, citrus, fresh, rose, herbal, waxy, orange, spearmint, floral, aldehydic
OR1A2 19 -6.37 6, -6.37 7 -  citrus, waxy, aldehydic, orange, fresh, orange_peel, tart, rose, sweet, floral
OR6A2 100 -5 16 -   
VN1R4 ? - 9 8  peely, orange_peel, peel, aldehydic, orris, fatty
VN1R3 ? - 8 8  orange_peel, peely, aldehydic
OR1G1 61 - 5.2284 2  sweet, waxy, citrus, fresh, tart, orange, aldehydic, floral, rose, fatty
OR1D2 100 -3.29 11 -  rose, citrus, fresh, sweet, floral, waxy, fatty, bois_de_rose, peach, blueberry
OR52D1 100 - 3.5533 2  dairy, cheesy, anise, milky, creamy, sour, sharp, peach, lactonic, rancid
OR1J2 100 - 3.3333 14  ozone, cognac, aldehydic, fatty, fresh, peel
OR5I1 46 - 1.9231 13  peel
VN1R1 ? - 1 8, 0.4167 9  lemon, lactonic, natural, grapefruit, sweet, jasmine, spearmint, tropical, oily, sharp
OR7D4 96 - 0.4 3  animal, citrus, orange, peely, tart, aldehydic, blueberry
OR10J5 84 - 0 4   
OR2C1 100 - 0 4   
OR2J2 92 - 0 4   
OR51E1 100 - 0 4   
OR51L1 88 - 0 4   
OR5P3 100 - 0 4   
OR3A1 92 - 0 5   
OR5A1 100 - 0 12   
OR5AN1 100 - 0 12   
OR7A17 100 - 0 17   
 

aldehyde C-8, octanal

SMILES:
CCCCCCCC=O

Aroma Description:
aldehydic, citrus, fatty, green, orange, peel, 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.) 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

3.) Keller A, Zhuang H, Chi Q, Vosshall LB, Matsunami H. Genetic variation in a human odorant receptor alters odour perception. Nature. 2007 Sep 27;449(7161):468-72. doi: 10.1038/nature06162. Epub 2007 Sep 16. PMID: 17873857.

4.) Saito H, Chi Q, Zhuang H, Matsunami H, Mainland JD. Odor coding by a Mammalian receptor repertoire. Sci Signal. 2009 Mar 3;2(60):ra9. doi: 10.1126/scisignal.2000016. PMID: 19261596; PMCID: PMC2774247.

5.) Jacquier V, Pick H, Vogel H. Characterization of an extended receptive ligand repertoire of the human olfactory receptor OR17-40 comprising structurally related compounds. J Neurochem. 2006 Apr;97(2):537-44. doi: 10.1111/j.1471-4159.2006.03771.x. Epub 2006 Mar 15. PMID: 16539658.

6.) 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.

7.) 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.

8.) Krautwurst D. Human olfactory receptor families and their odorants. Chem Biodivers. 2008 Jun;5(6):842-52. doi: 10.1002/cbdv.200890099. PMID: 18618407.

9.) I. Wallrabenstein, J. Gerber, S. Rasche, I. Croy, S. Kurtenbach, T. Hummel, H. Hatt, The smelling of Hedione results in sex-differentiated human brain activity, NeuroImage, Volume 113, 2015, Pages 365-373, ISSN 1053-8119

10.) Christiane Geithe, Franziska Noe, Johanna Kreissl, Dietmar Krautwurst, The Broadly Tuned Odorant Receptor OR1A1 is Highly Selective for 3-Methyl-2,4-nonanedione, a Key Food Odorant in Aged Wines, Tea, and Other Foods, Chemical Senses, Volume 42, Issue 3, 1 March 2017, Pages 181–193, https://doi.org/10.1093/chemse/bjw117

11.) Veithen, A.; Wilin, F.; Philippeau, M.; Chatelain, P. OR1D2 is a broadly tuned human olfactory receptor. Chem. Senses 2015, 40, 262–263.

12.) Keiichi Yoshikawa, Jun Deguchi, Hu Jieying et al. Diverse yet selective tuning of an odorant receptor for sensing four classes of musk compounds, 03 August 2022, PREPRINT (Version 1) available at Research Square [https://doi.org/10.21203/rs.3.rs-1916850/v1]

13.) Ashti Baghaei, K. (2015). Large scale analysis of olfactory receptors with highly genetically variations in relation with specific anosmia (Doctoral dissertation, Bochum, Ruhr-Universität Bochum, Diss., 2013).

14.) Lim J. H., J. Park, E. H. Oh, H. J. Ko, S. Hong, and Park, T. H. (2014) Nanovesicle-based bioelectronic nose for the diagnosis of lung cancer from human blood. Adv. Healthcare Mater., 3: 360–366.

15.) Franziska Haag, Antonella Di Pizio, Dietmar Krautwurst, The key food odorant receptive range of broadly tuned receptor OR2W1. Food Chemistry 375 (2022) 131680

16.) Huiwen Ren, Ruijing Zhang, Haibo Zhang, Che Bian. Ecnomotopic olfactory receptors in metabolic regulation. Biomedicine & Pharmacotherapy 179 (2024) 117403

17.) Dan Takase, Tomohiro Shirai, Kensuke Misawa, Hiroaki Matsunami, Keiichi Yoshikawa, An odorant receptor for a key odor constituent of ambergris. Communications Biology | (2025)8:792. doi: 10.1038/s42003-025-08229-y

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