SMILES:
CC1=C(C(CCC1)(C)C)C=CC(=O)C

Aroma Description:
beeswax, berry, floral, fruity, sweet, tropical, woody1
fragrant, floral, sour, acid, vinegar, sharp, pungent2

Receptor log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR5A1 -4.3 5, -5.35 14 10 5, 10 10  vinegar, natural, amber, sharp, animal, sour, berry, musk
OR51E2 -4.27 3, -7.5 8 0.3843 3, 5.9375 8  sour, vinegar, radish, sharp, cabbage, orris
OR5A2 -3.5 5 10 5, 0 10  musk, animal
OR4D6 -3.4 5 9.4737 5  (insufficient data)
OR4D9 -3.4 5 8.9474 5  vinegar, sharp, sour, berry
OR2W3 - 6.0465 12  lemon, citrus
OR2B3 -3 6 -  corn, malty, carnation, hazelnut, pungent, clove, vinegar
OR4D11 -3.1 5 2.1053 5  oily, fatty, fresh, citrus, fruity, vinegar, floral, sweet, sharp
OR52D1 - 4.0609 4  anise, cheesy, rancid, orange, dairy, sour, sweet, tart, sharp, pineapple
OR4D10 -3.2 5 1.5789 5  (insufficient data)
OR5AN1 -2.8 5 1.0526 5, 0 10  musk, powdery, animal
VN1R1 - 2.9167 7  grapefruit, lemon, natural, lactonic, jasmine, tropical, oily
OR1G1 - 1.5228 4  waxy, tart, orange, sweet, aldehydic, medicinal, citrus, clean, fresh, anise
OR4D1 - 0 9   
OR7A5 - 0 9   
OR2T11 - 0 11 Y 
OR10A6 - 0 13   
OR11H4 - 0 13   
OR2AG2 - 0 13   
OR2W1 - -0.1626 15   
OR8H1 - -0.6504 15   
OR5K1 - -0.4065 15, -0.4 16   

SMILES:
CC1=C(C(CCC1)(C)C)C=CC(=O)C

Aroma Description:
beeswax, berry, floral, fruity, sweet, tropical, woodyfragrant, floral, sour, acid, vinegar, sharp, pungent

Receptor Docking Score Correlated Perceptual Qualities

1.) The Good Scents Company

2.) S.R. Jaeger, J.F. McRae, C.M. Bava, M.K. Beresford, D. Hunter, Y. Jia, S.L. Chheang, D. Jin, M. Peng, J.C. Gamble et al, A Mendelian Trait for Olfactory Sensitivity Affects Odor Experience and Food Selection, Curr. Biol. 23 (2013) 1601-1605.

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.) 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.) S.R. Jaeger, J.F. McRae, C.M. Bava, M.K. Beresford, D. Hunter, Y. Jia, S.L. Chheang, D. Jin, M. Peng, J.C. Gamble et al, A Mendelian Trait for Olfactory Sensitivity Affects Odor Experience and Food Selection, Curr. Biol. 23 (2013) 1601-1605.

6.) D. Gonzalez-Kristeller, J.B.P. do Nascimento, P.A.F. Galante, B. Malnic, Identification of agonists for a group of human odorant receptors, Front. Pharmacol. 6 (2015)

7.) I. Wallrabenstein, J. Gerber, S. Rasche, I. Croy, S. Kurtenbach, T. Hummel, H. Hatt, The smelling of Hedione results in sex-differentiated human brain activity, NeuroImage, Volume 113, 2015, Pages 365-373, ISSN 1053-8119

8.) Sanz G., Leray I., Grébert D., Antoine S., Acquistapace A., Muscat A., Boukadiri A., Mir L. M. Structurally related odorant ligands of the olfactory receptor OR51E2 differentially promote metastasis emergence and tumor growth. Oncotarget. 2017; 8: 4330-4341.

9.) Hartmann C, Triller A, Spehr M, Dittrich R, Hatt H, Buettner A. Sperm-Activating Odorous Substances in Human Follicular Fluid and Vaginal Secretion: Identification by Gas Chromatography–Olfactometry and Ca2 Imaging. Chempluschem 78: 695–702, 2013. doi:10.1002/cplu.201300008

10.) 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]

11.) Antagonistic interactions between odorants alter human odor perception Yosuke Fukutani, Masashi Abe, Haruka Saito, Ryo Eguchi, Toshiaki Tazawa, Claire A. de March, Masafumi Yohda, Hiroaki Matsunami bioRxiv 2022.08.02.502184; doi: https://doi.org/10.1101/2022.08.02.502184

12.) Huang, J., Lam, H., Koziol-White, C., Limjunyawong, N., Kim, D., Kim, N., ... & An, S. S. (2020). The odorant receptor OR2W3 on airway smooth muscle evokes bronchodilation via a cooperative chemosensory tradeoff between TMEM16A and CFTR. Proceedings of the National Academy of Sciences, 117(45), 28485-28495.

13.) 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.

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.) Aya Kato, Naoko Saito (2015) Odor control agent. JP5798382B2

16.) Aya Kato, Naoko Saito, Michiaki Inoue, Kayoko Nomizu (2015) Method of identifying an agent for inhibiting odor of pyrazine derivatives US9057090B2