heptanoic acid

SMILES:
CCCCCCC(=O)[O-]

Aroma Description:
rancid, sour, cheesy, sweaty, waxy, fermented, pineapple, fruity1

Receptor log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR56A5 -3.24 8 5 8  rancid, cheesy, buttermilk, sweaty, sour
OR51E1 - 0 5, 4.85 6  cheesy, sweaty, sour, acidic
OR52B2 -4.56 8 0.3 8  rancid, cheesy, sour, juicy, tart
OR52D1 - 4.0609 4  anise, cheesy, orange, sweet, dairy, sour, rancid, waxy, tart, sharp
OR8D1 -3.58 2 0.0803 2  maple, sugar
OR10S1 - 1.4286 3  watery, cilantro, orange_peel, cumin, orris, aldehydic, greasy, muguet
OR1G1 - 1.269 4  waxy, tart, orange, sweet, aldehydic, fresh, citrus, clean, medicinal, anise
OR10J5 - 0 5   
OR1A1 - 0 5   
OR2C1 - 0 5   
OR2J2 - 0 5   
OR2W1 - 0 5   
OR51L1 - 0 5   
OR5P3 - 0 5   
OR51E2 - 0 7   
 

heptanoic acid

SMILES:
CCCCCCC(=O)[O-]

Aroma Description:
rancid, sour, cheesy, sweaty, waxy, fermented, pineapple, fruity

Receptor Dock Score Affinity A100 Correlated Perceptual Qualities
OR51E1 9.0201 20.347 51.5528 cheesy, sweaty, sour, acidic
OR51E2 0 0 (unknown)  

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.) 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.

6.) 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.

7.) 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

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