decanoic acid

SMILES:
CCCCCCCCCC(=O)[O-]

Aroma Description:
citrus, fatty, rancid, sour1

Receptor Expression log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR2W1 53 -3.76 4 9.8 4, 0 8  sweet, tart, hay, fatty, coumarinic, orange, peony, cinnamon, herbal, tonka
OR56A5 69 -4.4 7 5.3 7  cheesy, rancid, sweaty, buttermilk, sour, waxy
OR1G1 61 - 5.8376 2  sweet, waxy, citrus, fresh, tart, orange, aldehydic, floral, rose, fatty
OR52B2 100 -4.28 7 1.2 7  cheesy, rancid, dairy, sour, fatty, creamy, milky, sharp, sweaty, tart
OR51E1 100 - 0 3, 0 4, 3.51 5  cheesy, sour, sweaty, sharp, acidic, dairy
OR52D1 100 - 0.2538 2  dairy, cheesy, anise, milky, creamy, sour, sharp, peach, lactonic, rancid
OR10J5 84 - 0 4   
OR1A1 73 - 0 4   
OR2C1 100 - 0 4   
OR2J2 92 - 0 4   
OR51L1 88 - 0 4, 0 9   
OR5P3 100 - 0 4   
OR51E2 96 - 0 6   
 

decanoic acid

SMILES:
CCCCCCCCCC(=O)[O-]

Aroma Description:
citrus, fatty, rancid, sour

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.) YOSHIFUMI FUJITA, TOMOKO TAKAHASHI, AKIKO SUZUKI, KAYO KAWASHIMA, FUTOSHI NARA & RYUTA KOISHI (2007) Deorphanization of Dresden G Protein-Coupled Receptor for an Odorant Receptor, Journal of Receptors and Signal Transduction, 27:4, 323-334, DOI: 10.1080/10799890701534180

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.) Halperin Kuhns, V. L., Sanchez, J., Sarver, D. C., Khalil, Z., Rajkumar, P., Marr, K. A., & Pluznick, J. L. (2019). Characterizing novel olfactory receptors expressed in the murine renal cortex. American Journal of Physiology-Renal Physiology, 317(1), F172-F186.

6.) Christian B. Billesbølle, Claire A. de March, Wijnand J. C. van der Velden, Ning Ma, Jeevan Tewari, Claudia Llinas del Torrent, Linus Li, Bryan Faust, Nagarajan Vaidehi, Hiroaki Matsunami, Aashish Manglik. Structural basis of odorant recognition by a human odorant receptor. bioRxiv 2022.12.20.520951; doi: https://doi.org/10.1101/2022.12.20.520951

7.) Chatelain Pierre, Veithen Alex, Olfactory Receptors involved in the perception of sweat carboxylic acids and the use thereof. WO 2014/191047

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

9.) Roger Emter, Christel Merillat, Fiona Buchli, Felix Flachsmann, Andreas Natsch. Decoding human olfaction by high heterologous expression of odorant receptors detecting signature odorants. Current Biology, October 10, 2025

×
 
 

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