SMILES:
O=C(C1=C(CCCC1(C)C)C)\C=C\C

Aroma Description:
berry, currant, floral, fruity, honey, plum, rose, tobacco1

Receptor Expression log10 EC50 Adj. Top Antagonist? Correlated Perceptual Qualities
OR8K3 92 -5.97 7 2.3333 2  natural, sugar, mentholic, plum, petal, tobacco
OR4C3 34 - 1.9231 5  currant, plum, rose, honey, berry
OR5L1 53 - 1.9231 5  currant, sweet, plum, musk, berry, tobacco, powdery, ambrette, honey, floral
OR10G3 96 - 0 2   
OR10J5 84 - 0 2   
OR11A1 100 - 0 2   
OR1C1 100 - 0 2   
OR2A25 100 - 0 2   
OR2B11 100 - 0 2   
OR2J2 92 - 0 2   
OR2J3 100 - 0 2   
OR2W1 53 - 0 2   
OR51E1 100 - 0 2   
OR51L1 88 - 0 2   
OR56A4 100 - 0 2   
OR8D1 96 - 0 2   
OR5A1 100 - 0 3   
OR5A2 100 - 0 3   
OR5AN1 100 - 0 3   
OR2T11 96 - 0 4 Y 
OR5I1 46 - 0 5   
OR10G7 80 - -0.0667 2   
OR5K1 100 - 0.2267 2, -0.4 6  hazelnut, nutty, peanut, roasted, carnation, cocoa, almond
OR1A1 73 - -1.3333 2   
OR5P3 100 - -2.6667 2   
 

SMILES:
O=C(C1=C(CCCC1(C)C)C)\C=C\C

Aroma Description:
berry, currant, floral, fruity, honey, plum, rose, tobacco

Receptor Expr.% Agonist? Dock Score Known agonist Correlated Perceptual Qualities

Dock Score is a measure of how strongly the algorithm thinks the odorant is likely to be an agonist of the receptor.
Receptors in italics are "orphans", i.e. receptors whose agonists have not been identified experimentally.

×
 
 

Code version:
 

Docker used:
 

Files:
Active model: text 3D download
Inactive model: text 3D download
Active dock: text 3D download
Inactive dock: text 3D download
JSON entry: text   download