leaf alcohol, cis-3-hexen-1-ol, cis-3-hexenol, (Z)-3-hexenol

SMILES:
CC\C=C/CCO

Aroma Description:
fresh, green, grassy, foliage, vegetable, herbal, oily, melon_rind, pungent1
lettuce2

Receptor log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR2W1 -5 3, -5.6 4, -3.5 7, -5.7 10 9 4, -0.8333 5, 1.1765 7, 0 12  fatty, sweet, herbal, cucumber, orange, tart, mimosa, spicy, coumarinic, passionfruit
OR2J2 -5 3, -4.7 4, -3.3 7, -5.7 10 10 4, 0 5, 0.5882 7  tart, carnation, orange, warm, hay, clove, cinnamon, sweet
OR2J3 -5 3, -4.8 4, -3.4 7, -5.61 10 10 4, 0 5, 0.1588 7  passionfruit, foliage, blackcurrant, currant, grassy, juicy, tart, warm, soapy, cinnamon
OR1A1 -3.3 7, -4.05 11 -1.5667 5, 0.1706 7, 10 11  herbal, caraway, passionfruit, spearmint, weedy, orange, hay, fresh, waxy, citrus
OR2AG2 -5.01 9 -  cinnamyl, cinnamon, hyacinth, floral, rose, balsamic, neroli, blueberry
OR14J1 -3 3 -  (insufficient data)
OR51T1 -3.82 7 2.3529 7  spearmint, orangeflower, caraway, neroli, blueberry, minty, naphthyl, bois_de_rose, bready, hawthorn
OR4S2 -3.2 7 0.1529 7  narcissus, mimosa, foliage
OR7D4 - 0.3 6  animal
OR10G3 - 0 5   
OR10G7 - 0 5   
OR10J5 - 0 5   
OR11A1 - 0 5   
OR1C1 - 0 5   
OR2A25 - 0 5   
OR2B11 - 0 5   
OR51E1 - 0 5   
OR51L1 - 0 5   
OR56A4 - 0 5   
OR5K1 - 0 5   
OR8D1 - 0 5   
OR8K3 - 0 5   
OR5A1 - 0 8   
OR5A2 - 0 8   
OR5AN1 - 0 8   
OR10A6 - 0 9   
OR11H4 - 0 9   
OR5P3 - -0.6667 5   
 

leaf alcohol, cis-3-hexen-1-ol, cis-3-hexenol, (Z)-3-hexenol

SMILES:
CC\C=C/CCO

Aroma Description:
fresh, green, grassy, foliage, vegetable, herbal, oily, melon_rind, pungentlettuce

Receptor Dock Score Affinity A100 Correlated Perceptual Qualities
OR51E1 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.) Franziska Haag, Antonella Di Pizio, Dietmar Krautwurst, The key food odorant receptive range of broadly tuned receptor OR2W1. Food Chemistry 375 (2022) 131680

3.) 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.

4.) Jeremy F. McRae, Joel D. Mainland, Sara R. Jaeger, Kaylin A. Adipietro, Hiroaki Matsunami, and Richard D. Newcomb Genetic Variation in the Odorant Receptor OR2J3 Is Associated with the Ability to Detect the "Grassy" Smelling Odor, cis-3-hexen-1-ol Chem. Senses 37: 585–593, 2012 doi:10.1093/chemse/bjs049

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.) Ieki T, Yamanaka Y, Yoshikawa K (2022) Functional analysis of human olfactory receptors with a high basal activity using LNCaP cell line. PLOS ONE 17(4): e0267356.

8.) 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]

9.) Duroux R, Mandeau A, Guiraudie-Capraz G, Quesnel Y, Loing E. A Rose Extract Protects the Skin against Stress Mediators: A Potential Role of Olfactory Receptors. Molecules. 2020 Oct 16;25(20):4743. doi: 10.3390/molecules25204743. PMID: 33081083; PMCID: PMC7587601.

10.) Dunkel, A.; Steinhaus, M.; Kotthoff, M.; Nowak, B.; Krautwurst, D.; Schieberle, P.; Hofmann, T. Nature’s chemical signatures in human olfaction: A foodborne perspective for future biotechnology. Angew. Chem. Int. Ed. Engl. 2014, 53, 7124–7143.

11.) Keiichi Yoshikawa, Naoko Saito (2016) Method for selecting odor-controlling substance EP3305898B1

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