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(S)-carvone, d-carvone

SMILES:
CC1=CC[C@@H](CC1=O)C(=C)C

Aroma Description:
bready, caraway, minty, spicy1

Receptor log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR1A1 -8 2, -3.64 3, -5.04 4, -3.4 5, -4.2 7, -8.54 9 5.9062 2, 4.3333 3, 9.6 4, 4.7368 5, 9.2 6, 5.8824 7, 0.7143 8  herbal, caraway, passionfruit, spearmint, weedy, orange, hay, fresh, waxy, citrus
OR2W1 -4.65 4 6.3333 3, 9.5 4  fatty, sweet, herbal, cucumber, orange, tart, mimosa, spicy, coumarinic, passionfruit
OR5P3 -5.17 4, -4.4 7 1.1667 3, 9.7 4, 3.5294 7  mimosa, hawthorn, coumarinic, hay, spearmint, caraway, orangeflower, naphthyl, acacia, blueberry
OR51T1 -4.46 7 5 7  spearmint, orangeflower, caraway, neroli, blueberry, minty, naphthyl, bois_de_rose, bready, hawthorn
OR10A6 -3.8 7 0.8235 7  floral, honey, rhubarb, neroli, cyclamen, cinnamyl, hyacinth, rose, dirty, balsamic
OR51A7 -2.5 7 1.7647 7  spearmint, caraway, minty, bready
OR2L13 - 0.4 10  cilantro, spearmint, greasy, soapy, watery
OR10G7 - 0 3   
OR10J5 - 0 3, 0 4   
OR11A1 - 0 3   
OR1C1 - 0 3   
OR2A25 - 0 3   
OR2B11 - 0 3   
OR2J2 - 0 3, 0 4   
OR2J3 - 0 3, 0 6   
OR51E1 - 0 3, 0 4   
OR51L1 - 0 3, 0 4   
OR56A4 - 0 3   
OR5K1 - 0 3   
OR8D1 - 0 3   
OR8K3 - 0 3   
OR2C1 - 0 4   
OR1A2 - 0 5   
 

(S)-carvone, d-carvone

SMILES:
CC1=CC[C@@H](CC1=O)C(=C)C

Aroma Description:
bready, caraway, minty, spicy

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

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.) Geithe C, Protze J, Kreuchwig F, Krause G, Krautwurst D. Structural determinants of a conserved enantiomer-selective carvone binding pocket in the human odorant receptor OR1A1. Cell Mol Life Sci. 2017 Nov;74(22):4209-4229. doi: 10.1007/s00018-017-2576-z. Epub 2017 Jun 27. PMID: 28656349.

6.) Ligand Specificity and Evolution of Mammalian Musk Odor Receptors: Effect of Single Receptor Deletion on Odor Detection Narumi Sato-Akuhara, Nao Horio, Aya Kato-Namba, Keiichi Yoshikawa, Yoshihito Niimura, Sayoko Ihara, Mika Shirasu, Kazushige Touhara Journal of Neuroscience 20 April 2016, 36 (16) 4482-4491; DOI: 10.1523/JNEUROSCI.3259-15.2016

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.) Omura M, Takabatake Y, Lempert E, Benjamin-Hong S, D'Hulst C, Feinstein P. A genetic platform for functionally profiling odorant receptors in olfactory cilia ex vivo. Sci Signal. 2022 Aug 9;15(746):eabm6112. doi: 10.1126/scisignal.abm6112. Epub 2022 Aug 9. PMID: 35944068.

9.) 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.

10.) Morrell CN, Mix D, Aggarwal A, Bhandari R, Godwin M, Owens P 3rd, Lyden SP, Doyle A, Krauel K, Rondina MT, Mohan A, Lowenstein CJ, Shim S, Stauffer S, Josyula VP, Ture SK, Yule DI, Wagner LE 3rd, Ashton JM, Elbadawi A, Cameron SJ. Platelet olfactory receptor activation limits platelet reactivity and growth of aortic aneurysms. J Clin Invest. 2022 May 2;132(9):e152373. doi: 10.1172/JCI152373. PMID: 35324479; PMCID: PMC9057618.