☰
 

aldehyde C-8, octanal

SMILES:
CCCCCCCC=O

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

Receptor log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR2W1 -4.36 4, -5.45 10 8 4  sweet, herbal, tart, fatty, orange, passionfruit, fresh, mimosa, rancid, mushroom
OR1A1 -6.41 6, -6.41 7 -  passionfruit, herbal, orange, caraway, weedy, hay, spearmint, licorice, plastic, mushroom
OR1A2 -6.37 6, -6.37 7 4 7  ozone, orange, aldehydic, peel, citrus, spearmint, caraway, rose, green, tart
VN1R4 - 9 8  peel, orange_peel, aldehydic, orris, fatty, cognac, ozone
VN1R3 - 8 8  orange_peel, aldehydic
OR1D2 -3.29 11 -  rose, peach, bois_de_rose, citrus, floral, fresh, lactonic, coconut, lime, waxy
OR1G1 - 5.2284 2  waxy, tart, orange, sweet, aldehydic, medicinal, citrus, clean, fresh, anise
OR52D1 - 3.5533 2  anise, cheesy, rancid, orange, dairy, sour, sweet, tart, sharp, pineapple
OR1J2 - 3.3333 14  cognac, ozone, aldehydic, peel
OR5I1 - 1.9231 13  peel
VN1R1 - 1 8, 0.4167 9  grapefruit, lemon, natural, lactonic, jasmine, tropical, oily
OR7D4 - 0.4 3  animal
OR10J5 - 0 4   
OR2C1 - 0 4   
OR2J2 - 0 4   
OR51E1 - 0 4   
OR51L1 - 0 4   
OR5P3 - 0 4   
OR3A1 - 0 5   
OR5A1 - 0 12   
OR5AN1 - 0 12   

aldehyde C-8, octanal

SMILES:
CCCCCCCC=O

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

Receptor Docking Score Correlated Perceptual Qualities

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.