☰
 

SMILES:
C1=CC=C(C=C1)C=CC=O

Aroma Description:
sweet, spicy, candy, cinnamon, warm1

Receptor log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR2J3 -6 2 2 6  passionfruit, foliage, blackcurrant, currant, grassy, juicy, tart, warm, soapy, cinnamon
OR1N1 -5 2 -  candy, warm, cinnamon
OR3A1 -5 2 -  cork_taint
OR2W1 - 10 6  fatty, sweet, herbal, cucumber, orange, tart, mimosa, spicy, coumarinic, passionfruit
OR1G1 -4 5 0.2538 3  waxy, tart, orange, sweet, aldehydic, fresh, citrus, clean, medicinal, anise
OR10AG1 -4 2 -  candy, warm, cinnamon
OR2G2 -4 5 -  berry, candy, cotton_candy, strawberry, chocolate, warm, vanilla, cinnamon
OR2M4 -4 5 -  fennel, anise, narcissus, naphthyl
OR2T10 -4 5 -  berry, bergamot, cotton_candy, strawberry, lavender, lime, candy, caramellic, chocolate
OR2T34 -4 5 -  fennel, marine, ozone, apple, candy, plum, anise, chocolate, green, warm
OR10A5 - 7.5 6  candy, warm, cinnamon
OR10H2 -6 2 0.7916 2  candy, warm, lavender, cinnamon, rummy
OR2B11 -6 2 0.5195 2  tonka, medicinal, rubbery, coumarinic, hay, tobacco, candy, seafood, earthy, coffee
OR2J2 - 5 6  tart, carnation, orange, warm, hay, clove, cinnamon, sweet
OR9G1 -4.75 2 0.3684 2  carnation, malty, candy, warm, clove, cinnamon
OR2C1 -4 2 1.4653 2  sulfurous, skunk, roasted, meaty
OR52D1 - 2.7919 3  anise, cheesy, orange, sweet, dairy, sour, rancid, waxy, tart, sharp
OR7D4 - 0.2 4  animal
TAAR5 -4.6 7 -6 7 Y 
 

SMILES:
C1=CC=C(C=C1)C=CC=O

Aroma Description:
sweet, spicy, candy, cinnamon, warm

Receptor Agonist? Dock Score Pose1 LSRB - LSP 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.
LSP: Ligand Surface Polarity, i.e. how much of the ligand's surface is hydrophilic.
LSRB: Ligand Surface Receptor Binding, i.e. how much of the ligand's surface interacts with receptor atoms.

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.) 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

4.) 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.

5.) 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)

6.) Fukutani, Y., Koshizawa, T., & Yohda, M. (2021). Application of Vapor Phase Stimulation Method for Screening of Human Odorant Receptors Responding to Cinnamaldehyde. Sensors and Materials, 33(12), 4203-4210.

7.) Reina Kanemaki Kahori Kishigami, Mei Saito, Masafumi Yohda, and Yosuke Fukutani. Harnessing Odorant Receptor Activation to Suppress Real Malodor. Int. J. Mol. Sci. 2025, 26, 1566.