☰
 

SMILES:
COC1=C(C=CC(=C1)CC=C)OC(=O)C

Aroma Description:
carnation, clove, floral, fresh, malty, spicy, sweet, woody1

Receptor log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR10G3 -4 2 0.0667 3  vanilla, chocolate, creamy
OR4D2 -4 2 -  (insufficient data)
OR1G1 -4 5 -  waxy, tart, orange, sweet, aldehydic, fresh, citrus, clean, medicinal, anise
OR2B3 -4 5 -  corn, carnation, malty, hazelnut, pungent, clove, vinegar
OR5AC2 -4 5 -  berry, cotton_candy, apple, strawberry, plum, chocolate, tropical, fruity, sweet, carnation
OR5B17 -4 5 -  ozone, marine, carnation, malty, clean, clove
OR2F1 -3 2 -  acetone, carnation, malty
OR9G1 -3 2 -  carnation, malty, candy, warm, clove, cinnamon
OR2J2 - 3.6667 3  tart, carnation, orange, warm, hay, clove, cinnamon, sweet
OR10G7 - 3 3  clove, carnation, smoky
OR2W1 - 2.5 3  fatty, sweet, herbal, cucumber, orange, tart, mimosa, spicy, coumarinic, passionfruit
OR51E1 - 0.6 3  cheesy, sweaty, sour, acidic
OR7D4 - 0.2 4  animal
OR10J5 - 0 3   
OR11A1 - 0 3   
OR1A1 - 0 3   
OR1C1 - 0 3   
OR2A25 - 0 3   
OR2B11 - 0 3   
OR2J3 - 0 3   
OR51L1 - 0 3   
OR56A4 - 0 3   
OR5K1 - 0 3   
OR8D1 - 0 3   
OR8K3 - 0 3   
OR5P3 - -2.5333 3   
 

SMILES:
COC1=C(C=CC(=C1)CC=C)OC(=O)C

Aroma Description:
carnation, clove, floral, fresh, malty, spicy, sweet, woody

Receptor Dock Score Affinity A100 Correlated Perceptual Qualities
OR51E1 0 0 (unknown)  

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.) Adipietro KA, Mainland JD, Matsunami H (2012) Functional Evolution of Mammalian Odorant Receptors. PLoS Genet 8(7): e1002821. doi:10.1371/ journal.pgen.1002821

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)