SMILES:
CC(C)(CCCC1=CCC(CC1)C=O)O
Aroma Description:
aquatic, clean, cyclamen, floral, muguet, rhubarb, watery, waxy, woody1
| Receptor | log10 EC50 | Adj. Top | Antagonist? | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR10J5 | -5 2, -2.16 4, -3.49 5, -5.14 10 | 4.4374 2, 3.1667 4, 10 6 | cyclamen, watery, rhubarb | |
| OR10A6 | -5.59 9 | - | floral, honey, rhubarb, neroli, cyclamen, cinnamyl, hyacinth, rose, dirty, balsamic | |
| OR1G1 | - | 5.0761 3 | waxy, tart, orange, sweet, aldehydic, fresh, citrus, clean, medicinal, anise | |
| OR2W3 | - | 4.186 8 | lemon, citrus | |
| OR6P1 | -2.86 2 | 0.4408 2 | hyacinth, honey, cocoa, hawthorn, anise | |
| OR13C4 | -2.85 2 | 0.408 2 | (insufficient data) | |
| OR5M9 | -2.84 2 | 0.412 2 | (insufficient data) | |
| OR52D1 | - | 1.269 3 | anise, cheesy, orange, sweet, dairy, sour, rancid, waxy, tart, sharp | |
| OR5K1 | - | 0.2333 4 | hazelnut, nutty, peanut, roasted, cocoa | |
| OR10G3 | - | 0 4 | ||
| OR10G7 | - | 0 4 | ||
| OR11A1 | - | 0 4 | ||
| OR1C1 | - | 0 4 | ||
| OR2A25 | - | 0 4 | ||
| OR2B11 | - | 0 4 | ||
| OR2J2 | - | 0 4, 0 5 | ||
| OR2J3 | - | 0 4 | ||
| OR2W1 | - | 0 4, 0 5 | ||
| OR51E1 | - | 0 4, 0 5 | ||
| OR51L1 | - | 0 4, 0 5 | ||
| OR56A4 | - | 0 4 | ||
| OR8D1 | - | 0 4 | ||
| OR8K3 | - | 0 4 | ||
| OR2C1 | - | 0 5 | ||
| OR51B4 | - | 0 7 | ||
| OR11H4 | - | 0 9 | ||
| OR2AG2 | - | 0 9 | ||
| OR1A1 | - | -0.5 4, 0 5 | ||
| OR5P3 | - | -1.3333 4, 0 5 |
SMILES:
CC(C)(CCCC1=CCC(CC1)C=O)O
Aroma Description:
aquatic, clean, cyclamen, floral, muguet, rhubarb, watery, waxy, woody
| Receptor | Dock Score | Affinity | A100 | Correlated Perceptual Qualities |
|---|---|---|---|---|
| OR51E1 | 0 | 0 | 0 |
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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