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SMILES:
CC(=CCCC(C)(C=C)O)C

Aroma Description:
blueberry, bois_de_rose, citrus, floral, green, rose, sweet, woody1

Receptor log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR1C1 -7.86 2, -2.79 3, -2.57 4, -2.8 8, -6.09 11 1.4377 2, 10 3, 0.5294 8  blueberry, bois_de_rose
OR10A6 -6.25 10 -  floral, honey, rhubarb, neroli, cyclamen, cinnamyl, hyacinth, rose, dirty, balsamic
OR2AG2 -5.25 10 -  cinnamyl, cinnamon, hyacinth, floral, rose, balsamic, neroli, blueberry
VN1R5 - 9 6  tart, orange_peel, aldehydic, spearmint, caraway, waxy, citrus, blueberry, rose, orange
OR1D2 -4.26 7 -  rose, peach, bois_de_rose, citrus, floral, fresh, lactonic, waxy, lime, blueberry
OR13C3 -8.14 2 0.1149 2  (insufficient data)
VN1R3 - 7.3 6  orange_peel, aldehydic
OR51T1 -4.4 8 3.8235 8  spearmint, orangeflower, caraway, neroli, blueberry, minty, naphthyl, bois_de_rose, bready, hawthorn
OR1N2 -3.83 2 0.1061 2  (insufficient data)
OR1A1 -3.4 8 -1.1667 4, 0.7059 8  herbal, caraway, passionfruit, spearmint, weedy, orange, hay, fresh, waxy, citrus
OR13A1 -2.8 2 0.1774 2  (insufficient data)
OR2A25 -2.06 3 0.5833 3, 0 4  lavender, rummy, cooling, medicinal, rubbery, winey, soapy
OR2W3 - 0.9302 9  lemon, citrus
OR7D4 - 0.2 5  animal
OR10G3 - 0 4   
OR10G7 - 0 4   
OR10J5 - 0 4   
OR11A1 - 0 4   
OR2B11 - 0 4   
OR2J2 - 0 4   
OR2J3 - 0 4   
OR2W1 - 0 4   
OR51E1 - 0 4   
OR51L1 - 0 4   
OR56A4 - 0 4   
OR5K1 - 0 4   
OR8D1 - 0 4   
OR8K3 - 0 4   
OR11H4 - 0 10   
OR5P3 - -2.2667 4   
 

SMILES:
CC(=CCCC(C)(C=C)O)C

Aroma Description:
blueberry, bois_de_rose, citrus, floral, green, rose, sweet, woody

Receptor Dock Score Affinity A100 Correlated Perceptual Qualities
OR51E1 0.7006 11.0779 51.5698 cheesy, sweaty, sour, acidic

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

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9.) 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.

10.) 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.

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