SMILES:
CC(CC1=CC=C(C=C1)C(C)(C)C)C=O
Aroma Description:
floral, muguet, watery, green, powdery, cumin1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR3A1 | -5.19 5, -5.19 6, -5.19 8 | - | cork_taint | |
| OR1D2 | -2.65 2, -5.7 4 | 0.2129 2 | rose, peach, bois_de_rose, citrus, floral, fresh, lactonic, waxy, lime, blueberry | |
| OR2A7 | -4.96 3 | 6.7857 3 | pine, resinous, cumin, watery | |
| OR2T4 | -4.96 3 | 5.7143 3 | cloth, laundered, pine, cumin | |
| OR10S1 | -4.89 3 | 5.3571 3 | watery, cilantro, orange_peel, cumin, orris, aldehydic, greasy, muguet | |
| OR2W3 | - | 6.2791 7 | lemon, citrus | |
| OR5P3 | - | -0.1626 10 | ||
| OR8H1 | - | -0.1626 10 | ||
| OR5K1 | - | -0.1626 10, -0.3429 11 | ||
| OR51I2 | - | -0.9091 9 | ||
| OR2W1 | - | -0.9091 9, -0.1626 10 |
SMILES:
CC(CC1=CC=C(C=C1)C(C)(C)C)C=O
Aroma Description:
floral, muguet, watery, green, powdery, cumin
| 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).
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