SMILES:
CCCCCCCCCCC=O
Aroma Description:
aldehydic, citrus, cloth, fatty, floral, green, laundered, soapy, waxy1
Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
---|---|---|---|---|
OR56A4 | -7 2 | - | cloth, laundered, orange_peel, aldehydic | |
OR2T4 | -5.7 3 | 10 3 | cloth, laundered, pine, cumin | |
VN1R5 | - | 8 7 | tart, orange_peel, aldehydic, spearmint, caraway, waxy, citrus, blueberry, rose, orange | |
OR1G1 | - | 3.2995 4 | waxy, tart, orange, sweet, aldehydic, fresh, citrus, clean, medicinal, anise | |
OR2L13 | - | 2.8571 3 | cilantro, spearmint, greasy, soapy, watery | |
OR52D1 | - | 2.132 4 | anise, cheesy, orange, sweet, dairy, sour, rancid, waxy, tart, sharp | |
OR7D4 | - | 0.1 5 | animal | |
OR1D2 | - | 0 6 | Y |
SMILES:
CCCCCCCCCCC=O
Aroma Description:
aldehydic, citrus, cloth, fatty, floral, green, laundered, soapy, waxy
Receptor | Dock Score | Affinity | A100 | Correlated Perceptual Qualities |
---|
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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3.) Emily A. Yasi, Sara L. Eisen, Hanfei Wang, Widianti Sugianto, Anita R. Minniefield, Kaitlyn A. Hoover, Paul J. Branham, and Pamela Peralta-Yahya Rapid Deorphanization of Human Olfactory Receptors in Yeast Biochemistry 2019, 58, 2160-2166
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.) 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.
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7.) Krautwurst D. Human olfactory receptor families and their odorants. Chem Biodivers. 2008 Jun;5(6):842-52. doi: 10.1002/cbdv.200890099. PMID: 18618407.