☰
 

aldehyde C-9, nonanal

SMILES:
CCCCCCCCC=O

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

Receptor Expression log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR2W1 53 -3.6 7, -5.21 13, -3.905 17 2 5, 8.5 7  sweet, tart, hay, fatty, coumarinic, orange, peony, cinnamon, herbal, tonka
OR1G1 61 -2.49 2 0.5787 2, 7.6142 4, 7.9412 8  sweet, waxy, citrus, tart, orange, fresh, aldehydic, rose, floral, fatty
OR1A2 19 -4.89 9, -4.89 10 7 10  citrus, waxy, aldehydic, orange, fresh, orange_peel, tart, rose, sweet, floral
OR1A1 73 -5.26 9, -5.26 10 -1.5667 5, 0 7, 6 10, 0 13  sweet, citrus, rose, fresh, waxy, herbal, orange, spearmint, floral, aldehydic
VN1R4 ? - 10 11  peely, orange_peel, peel, aldehydic, orris, fatty
VN1R3 ? - 9 11  orange_peel, peely, aldehydic
OR10G8 57 -4.4 15 -  (insufficient data)
VN1R5 ? - 7 11  tart, orange_peel, aldehydic, spearmint, caraway, waxy, peely, citrus, blueberry, rose
OR10S1 92 -4.44 3 5 3  watery, peely, orange_peel, cilantro, waxy, coconut, orris, floral, honey, aldehydic
OR52A1 88 -3.2 15 -  dairy, milky, peely, lactonic, peach, orange_peel, creamy, fatty
OR8K1 42 -5.49 2 0.0584 2  (insufficient data)
OR1D2 100 -1.71 14 -  rose, citrus, fresh, floral, sweet, waxy, fatty, peach, bois_de_rose, blueberry
OR4C15 69 -2.63 2 0.7275 2  (insufficient data)
OR52D1 100 - 2.3858 4  dairy, cheesy, anise, milky, creamy, sour, sharp, peach, rancid, lactonic
OR1J2 100 - 0.5556 16  ozone, cognac, aldehydic, fatty, peel, fresh, orange
OR7D4 96 - 0.2 6  animal, citrus, orange, peely, tart, aldehydic
OR2J2 92 - 0.1667 5, 0 7  tart, sweet, carnation, hay, orange, warm, cinnamon, clove, coumarinic
OR5K1 100 - 0.1333 5  hazelnut, nutty, peanut, roasted, almond
VN1R1 ? - 0.1 11, 0 12  lemon, lactonic, natural, grapefruit, sweet, jasmine, spearmint, tropical, oily, sharp
OR10G3 96 - 0 5   
OR10G7 80 - 0 5   
OR10J5 84 - 0 5, 0 7   
OR11A1 100 - 0 5   
OR1C1 100 - 0 5   
OR2A25 100 - 0 5   
OR2B11 100 - 0 5   
OR2J3 100 - 0 5   
OR51E1 100 - 0 5, 0 7   
OR51L1 88 - 0 5, 0 7   
OR56A4 100 - 0 5   
OR8D1 96 - 0 5   
OR8K3 92 - 0 5   
OR2C1 100 - 0 7   
OR5P3 100 - -2.4 5, 0 7   
 

aldehyde C-9, nonanal

SMILES:
CCCCCCCCC=O

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

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.) 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
×
 
 

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