☰
 

aldehyde C-9, nonanal

SMILES:
CCCCCCCCC=O

Aroma Description:
waxy, aldehydic, rose, fresh, orris, orange_peel, fatty, peely1

Receptor log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR2W1 -3.6 7, -5.21 13, -3.905 17 2 5, 8.5 7  fatty, sweet, herbal, cucumber, orange, tart, mimosa, spicy, coumarinic, passionfruit
OR1G1 -2.49 2 0.5787 2, 7.6142 4, 7.9412 8  waxy, tart, orange, sweet, aldehydic, fresh, citrus, clean, medicinal, anise
OR1A2 -4.89 9, -4.89 10 7 10  citrus, orange_peel, aldehydic, melon, waxy, ozone, orange, lime
OR1A1 -5.26 9, -5.26 10 -1.5667 5, 0 7, 6 10, 0 13  herbal, caraway, passionfruit, spearmint, weedy, orange, hay, fresh, waxy, citrus
VN1R4 - 10 11  peel, orange_peel, aldehydic, orris, fatty, cognac, ozone
VN1R3 - 9 11  orange_peel, aldehydic
OR10G8 -4.4 15 -  (insufficient data)
VN1R5 - 7 11  tart, orange_peel, aldehydic, spearmint, caraway, waxy, citrus, blueberry, rose, orange
OR10S1 -4.44 3 5 3  watery, cilantro, orange_peel, cumin, orris, aldehydic, greasy, muguet
OR52A1 -3.2 15 -  orange_peel, orris, dairy
OR8K1 -5.49 2 0.0584 2  (insufficient data)
OR1D2 -1.71 14 -  rose, peach, bois_de_rose, citrus, floral, fresh, lactonic, waxy, lime, blueberry
OR4C15 -2.63 2 0.7275 2  (insufficient data)
OR52D1 - 2.3858 4  anise, cheesy, orange, sweet, dairy, sour, rancid, waxy, tart, sharp
OR1J2 - 0.5556 16  cognac, ozone, aldehydic, peel
OR7D4 - 0.2 6  animal
OR2J2 - 0.1667 5, 0 7  tart, carnation, orange, warm, hay, clove, cinnamon, sweet
OR5K1 - 0.1333 5  hazelnut, nutty, peanut, roasted, cocoa
VN1R1 - 0.1 11, 0 12  grapefruit, lemon, lactonic, natural, jasmine, tropical, oily
OR10G3 - 0 5   
OR10G7 - 0 5   
OR10J5 - 0 5, 0 7   
OR11A1 - 0 5   
OR1C1 - 0 5   
OR2A25 - 0 5   
OR2B11 - 0 5   
OR2J3 - 0 5   
OR51E1 - 0 5, 0 7   
OR51L1 - 0 5, 0 7   
OR56A4 - 0 5   
OR8D1 - 0 5   
OR8K3 - 0 5   
OR2C1 - 0 7   
OR5P3 - -2.4 5, 0 7   
 

aldehyde C-9, nonanal

SMILES:
CCCCCCCCC=O

Aroma Description:
waxy, aldehydic, rose, fresh, orris, orange_peel, fatty, peely

Receptor Dock Score Affinity A100 Correlated Perceptual Qualities
OR51E1 0.3464 2.8089 51.3321 cheesy, sweaty, sour, acidic

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.) Emily A. Yasi, Sara L. Eisen, Hanfei Wang, Widianti Sugianto, Anita R. Minniefield, Kaitlyn A. Hoover, Paul J. Branham, and Pamela Peralta-Yahya Rapid Deorphanization of Human Olfactory Receptors in Yeast Biochemistry 2019, 58, 2160-2166

4.) 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

5.) Adipietro KA, Mainland JD, Matsunami H (2012) Functional Evolution of Mammalian Odorant Receptors. PLoS Genet 8(7): e1002821. doi:10.1371/ journal.pgen.1002821

6.) 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.

7.) 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.

8.) L. Charlier, J. Topin, C. Ronin, S.K. Kim, W.A. Goddard, 3rd, R. Efremov, J. Golebiowski, How broadly tuned olfactory receptors equally recognize their agonists. Human OR1G1 as a test case, Cell. Mol. Life Sci. 69 (2012) 4205-4213.

9.) 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.

10.) 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.

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

12.) 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

13.) 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

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

15.) Cong X, Ren W, Pacalon J, Xu R, Xu L, Li X, de March CA, Matsunami H, Yu H, Yu Y, Golebiowski J. Large-Scale G Protein-Coupled Olfactory Receptor-Ligand Pairing. ACS Cent Sci. 2022 Mar 23;8(3):379-387. doi: 10.1021/acscentsci.1c01495. Epub 2022 Feb 18. PMID: 35350604; PMCID: PMC8949627.

16.) 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.

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