☰
 

(R)-carvone, l-carvone

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

Aroma Description:
herbal, minty, spearmint, sweet1

Receptor log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR1A1 -1.15 2, -5.76 6, -4 7, -4.93 8, -4.9 10, -6.15 13 3.9599 2, 9.5 6, 10 7, 4.2857 12, 2.3333 13  herbal, caraway, passionfruit, spearmint, weedy, orange, hay, fresh, waxy, citrus
OR2W1 -4.66 6, -4.64 8, -4.6 9, -3.93 16 9.7 6, 0.8824 9  fatty, sweet, herbal, cucumber, orange, tart, mimosa, spicy, coumarinic, passionfruit
OR5P3 -4.41 4, -4.85 6, -4.4 9, -5.4 13 0.5645 4, 9.7 6, 7.6471 9, 2.2222 13  mimosa, hawthorn, coumarinic, hay, spearmint, caraway, orangeflower, naphthyl, acacia, blueberry
OR2Y1 -5.81 14 -  spearmint, minty, acetone
OR6X1 -5.66 14 -  (insufficient data)
OR11H12 -4.7 3 10 3  spearmint, acacia, chemical, hawthorn, mimosa, almond, tonka
OR5R1 -4.9 3 9.4737 3  spearmint, acacia, chemical, hawthorn, mimosa, tonka, almond, coumarinic
OR8K5 -5.3 3 8.4211 3  (insufficient data)
OR51T1 -4.4 9 5.8824 9  spearmint, orangeflower, caraway, neroli, blueberry, minty, naphthyl, bois_de_rose, bready, hawthorn
OR10A6 -3.8 9 2.3529 9  floral, honey, rhubarb, neroli, cyclamen, cinnamyl, hyacinth, rose, dirty, balsamic
OR2L13 - 3.8 15  cilantro, spearmint, greasy, soapy, watery
OR8B3 -3.4 9 0.7647 9  orangeflower, neroli, hawthorn, anise, naphthyl, mimosa, spearmint, coumarinic, powdery
OR8H1 -3.5 9 0.5294 9  naphthyl, orangeflower, spearmint, neroli, carnation, peppery, fecal, clove, smoky
OR5K1 -3.6 9 0.2353 9  hazelnut, nutty, peanut, roasted, cocoa
OR51A7 -2.5 9 1.7647 9  spearmint, caraway, minty, bready
OR7D4 - 0.4 5  animal
OR10J5 - 0 6   
OR2C1 - 0 6   
OR2J2 - 0 6   
OR51E1 - 0 6   
OR51L1 - 0 6   
OR1A2 - 0 7   
OR5A1 - 0 11   
OR5A2 - 0 11   
OR5AN1 - 0 11, 0 12   
 

(R)-carvone, l-carvone

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

Aroma Description:
herbal, minty, spearmint, sweet

Receptor Dock Score Affinity A100 Correlated Perceptual Qualities
OR51E1 0 0 -5.7243  

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.) Xiaojing Cong, Wenwen Ren, Jody Pacalon, Claire A. de March, Lun Xu, Hiroaki Matsunami, Yiqun Yu, Jérôme Golebiowski Functions of olfactory receptors are decoded from their sequence https://doi.org/10.1101/2020.01.06.895540

4.) Audouze K, Tromelin A, Le Bon AM, Belloir C, Petersen RK, et al. () Identification of Odorant-Receptor Interactions by Global Mapping of the Human Odorome. PLoS ONE 9(4): e93037. doi:10.1371/journal.pone.0093037

5.) 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.

6.) 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.

7.) 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.

8.) 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

9.) 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.

10.) Haag, Franziska et al. “Copper-mediated thiol potentiation and mutagenesis-guided modeling suggest a highly conserved copper-binding motif in human OR2M3.” Cellular and molecular life sciences : CMLS vol. 77,11 (2020): 2157-2179. doi:10.1007/s00018-019-03279-y

11.) 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]

12.) 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.

13.) Saito N, Yamano E, Ishii A, Tanaka M, Nakamura J, et al. (2018) Involvement of the olfactory system in the induction of anti-fatigue effects by odorants. PLOS ONE 13(3): e0195263. https://doi.org/10.1371/journal.pone.0195263

14.) 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.

15.) 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.

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