This page features beta versions of predictions, including links to viewable 3D models. The numbers and models are not yet guaranteed to be accurate, and we welcome collaboration on our codebase. The repository is accepting pull requests at https://github.com/primaryodors/primarydock.
Odorant EC50 Adjusted Top Antagonist? Dock ScoreDock Energy Aroma Notes
butyric acid -5.47 1 10 2  15.3512-60.5968sharp, acetic, cheesy, buttery, fruity, dairy, creamy
3-methylvaleric acid -5.47 2 10 3  6.2693-14.1475animal, sharp, acidic, cheesy, green, fruity, sweaty
isovaleric acid -4.82 4 10 5  12.488-16.4353cheesy, sour, sweaty, tropical
pelargonic acid -5.3 1 8 6  3.3339-17.549cheesy, dairy, dirty, waxy
valeric acid -4.74 2 8.07 2  8.9739-17.7264acidic, cheesy, fruity, milky, sharp, sour, tobacco
4-methylvaleric acid -5.21 2 6.86 2  24.8439-26.1516cheesy, pungent
cyclobutane carboxylic acid -4.6 2 7.78 2  15.1908-24.0102
caproic acid -4.52 7 6.49 2  21.8494-28.7532cheesy, fatty, sour, sweaty
5-norbornene-2-carboxylic acid - 6.85 2  4.9083-19.4106fruity, green
butyl butyryl lactate -3.47 6 7 6  00creamy, buttery, buttermilk, dairy, cheesy, fatty, waxy, sweaty, green
propionic acid -4.97 4 3.52 2  22.642-25.5363acidic, cheesy, pungent, vinegar
2-methylvaleric acid -3.3 3 5.63 2  5.4014-21.322cheesy, sour
oenanthic acid - 4.85 2  9.0201-20.347rancid, sour, cheesy, sweaty, waxy, fermented, pineapple, fruity
2-decenoic acid - 4.52 2  0.4553-7.2324fatty
2-methylbutanoic acid -1.78 5 6.17 2  10.8932-21.5001pungent, acidic, cheesy, roquefort, fruity, dirty, fermented
caprylic acid - 4.42 2  10.8686-34.3219cheesy, fatty, oily, rancid, vegetable, waxy
norbornane-2-carboxylic acid -2.3 5 4.2353 5  7.8316-22.0755
3-methyl-2-hexenoic acid -4.22 8 0.48 8  9.9575-19.6559cheesy, fruity
cyclohexanecarboxylic acid -1.87 5 4.1176 5  1.6299-8.66fruity, acidic, metallic, cheesy, tropical
capric acid - 3.51 2  00citrus, fatty, rancid, sour
2-nonenoic acid - 3.43 2  0.3921-1.6061fatty, oily
4-methyl nonanoic acid - 3.4 2  1.2024-9.5168meaty, pork, lamb, chicken, fatty, goaty
cyclopropanecarboxylic acid -1.3 5 1.1765 5  00
methyl eugenol - 1.1667 9  00carnation, cinnamon, clove, fresh, spicy, sweet, warm
(1S,2R,5S)-(+)-menthol - 0.7 9  03.579cooling, mentholic, minty
methyl salicylate - 0.7 9  00minty, wintergreen
eugenyl acetate - 0.6 9  00carnation, clove, floral, fresh, malty, spicy, sweet, woody
2,4-DNT - 0.5 9  03.8274
pyrazine - 0.5 9  00pungent, sweet, corn, roasted, hazelnut, barley
dimethyl disulfide - 0.4333 9  0.1621-1.3606sulfurous, vegetable, cabbage, onion, malty, creamy
delta-decalactone - 0.4167 10  00coconut, creamy, dairy, fatty, fresh, fruity, lactonic, milky, oily, peach, sweet
methyl furfuryl disulfide - 0.4 9  0.0809-1.3392sulfurous, coffee, roasted, alliaceous, meaty, liver, onion, garlic, eggy
n-amyl alcohol - 0.3333 9    fusel, oily, sweet, balsamic, pungent, fermented, bready, yeasty, winey, solvent
propanal - 0.3333 9  1.2199-6.5228alcoholic, cocoa, earthy, nutty, whiskey, winey
acetophenone - 0 6  0.177-2.8683sweet, pungent, hawthorn, mimosa, almond, acacia, chemical
allyl heptanoate - 0 6    sweet, pineapple, fruity, waxy, banana, fusel, cognac, ripe, fermented
allyl phenylacetate - 0 9    honey, fruity, rummy
allylbenzene - 0 6    
amyl hexanoate - 0 9    sweet, green, fruity, estery, pineapple, apple, pear, fatty, waxy, cognac, melon
androstenone - 0 9    animal, musky
l-arabinose - 0 9    
benzene - 0 9    gasoline, phenolic, solvent, cinnamon
benzoic acid - 0 3    balsamic, urine
benzophenone - 0 6    balsamic, rose, metallic, powdery, geranium, herbal, plastic, phenolic
benzyl acetate - 0 6    sweet, floral, fruity, jasmine, fresh
bornane-2-carboxylic acid - 0 5  00
butyl formate - 0 9  0.2101-3.392fruity, plum, rummy, brandy
(-)-camphor - 0 6  00
camphor - 0 6    camphoraceous
gamma-caprolactone - 0 6  013.5929herbal, coconut, sweet, coumarinic, tobacco, creamy, lactonic, green
(R)-(-)-carvone - 0 6  03.0625herbal, minty, spearmint, sweet
(S)-(+)-carvone - 0 9  00bready, caraway, minty, spicy
4-chromanone - 0 6  1.0669-8.4548
citral - 0 9  00sharp, lemon, sweet, fresh, juicy, lemon_peel, tart, green, citrus, lime, woody, herbal
citric acid - 0 3  0.6374-10.0857
(S)-(-)-citronellol - 0 6  017.9445citrus, fatty, floral, fruity, green, leathery, rose, sweet, terpenic, waxy
coffee difuran - 0 9  00.8237cabbage, chicken, coffee, meaty, onion, roasted, sulfurous, cocoa, earthy, fungal, mild, mushroom, nutty
2-coumaranone - 0 6  00
coumarin - 0 9    coumarinic, hay, sweet, tonka
cyclohexanone - 0 6    acetone, minty
beta-damascone - 0 9    berry, currant, floral, fruity, honey, plum, rose, tobacco
decanal - 0 9    sweet, aldehydic, waxy, orange_peel, citrus, floral
1-decanol - 0 3    aldehydic, clean, fatty, floral, green, orange, sweet, tart, watery, waxy
diacetyl - 0 10    buttery, caramellic, creamy, pungent, sweet
(+)-dihydrocarvone - 0 6    herbal, minty, mentholic
dihydrojasmone - 0 6    floral, fresh, herbal, jasmine, myrrh, outdoors, spicy, woody
2-ethyl fenchol - 0 9    camphoraceous, earthy, humus, mushroom, musty, patchouli, potato, rooty, tea
ethyl isobutyrate - 0 6    alcoholic, ethereal, fruity, fusel, rummy, sweet
ethyl vanillin - 0 9    sweet, creamy, vanilla, caramellic
eugenol - 0 9    clove, spicy, sweet, woody
fenchone - 0 6    camphoraceous, earthy, herbal, woody
geraniol - 0 6    citrus, floral, fruity, rose, sweet, waxy
geranyl acetate - 0 9    floral, rose, lavender, green, waxy, herbal, cooling, oily, soapy, citrus, winey, rummy
helional - 0 9    cyclamen, fresh, green, hay, ozone, watery
heptanal - 0 6    aldehydic, cognac, fatty, fresh, green, herbal, ozone
1-heptanol - 0 6  08.1673musty, leafy, violet, herbal, green, sweet, woody, peony, pungent, vegetable, fruity, apple, banana
2-heptanone - 0 9    banana, cheesy, coconut, creamy, fruity, green, herbal, ketonic, spicy, sweet, waxy, woody
3-heptanone - 0 6    fatty, fruity, green
hexanal - 0 6    aldehydic, fatty, fresh, fruity, grass, green, leafy, sweaty
2,3-hexanedione - 0 6    buttery, sweet
3,4-hexanedione - 0 6  00almond, buttery, caramellic, nutty, toasted
hexanol - 0 3  1.9057-10.0406ethereal, fusel, oily, fruity, alcoholic, sweet, green, pungent, apple_skin
2-hexanone - 0 6  0.3876-6.153ethereal
(Z)-3-hexen-1-ol - 0 9  00fresh, green, grassy, foliage, vegetable, herbal, oily, melon_rind, pungent, lettuce
hexyl acetate - 0 6  00apple, banana, fruity, green, sweet
4-hydroxycoumarin - 0 6  00
isobutylamine - 0 9  00cheesy, fishy
lauric acid - 0 3  00bay, coconut, fatty
d-limonene - 0 9  0.6356-5.0828citrus, orange, fresh, sweet
linalool - 0 9  0.7006-11.0779blueberry, bois_de_rose, citrus, floral, green, rose, sweet, woody
lyral - 0 9  03.3214aquatic, clean, cyclamen, floral, muguet, rhubarb, watery, waxy, woody
myristic acid - 0 3  00citrus, coconut, fatty, peel, pineapple, soapy, waxy
nonanal - 0 9  0.3464-2.8089waxy, aldehydic, rose, fresh, orris, orange_peel, fatty, peely
nonanethiol - 0 6  07.9876
1-nonanol - 0 9  00.0839aldehydic, citrus, clean, dusty, fatty, floral, fresh, oily, orange, rose, sweet, tart, waxy, wet
2-nonanone - 0 6  00fresh, sweet, green, weedy, earthy, herbal, fruity, waxy, soapy, cheesy, coconut, dairy, dirty, buttery
octanal - 0 6  00aldehydic, citrus, fatty, green, orange, peel, waxy
octanethiol - 0 9  05.276sulfurous
1-octanol - 0 3  09.6679aldehydic, green, mushroom, orange, rose, waxy
2-octanone - 0 6  00earthy, herbal, natural, weedy, woody
3-octanone - 0 6  00fresh, herbal, lavender, mushroom, sweet
octyl octanoate - 0 9  00coconut, oily, fruity
palmitic acid - 0 3  00creamy, fatty, waxy
2-pentanone - 0 6  1.4778-7.8426sweet, fruity, ethereal, winey, banana, woody, fermented
phenyl acetate - 0 6  00phenolic, medicinal, animal, resinous, castoreum, woody, smoky, burnt
(+)-2-phenylbutyric acid - 0 6  00
prenyl acetate - 0 6  00sweet, fresh, banana, fruity, jasmine, ripe, heliotrope, balsamic
quinoline - 0 9  00earthy, medicinal, musty, rubbery, tobacco
sotolone - 0 9  00sweet, caramellic, maple, sugar, burnt_sugar, coffee, brown_sugar, cotton_candy
terpinyl acetate - 0 9  00bergamot, citrus, herbal, lavender, lime
vanillic acid - 0 6    beany, brown, creamy, dairy, milky, phenolic, powdery, sweet, vanilla
citronellal - -0.9091 7    sweet, dry, floral, herbal, waxy, aldehydic, citrus
2-cyclohexylpropanal - -0.9091 7    natural, fresh, green, dusty, fruity
hydroxycitronellal - -0.9091 7    floral, green, lily, melon, sweet, tropical, waxy
bourgeonal - -1.8182 7    fresh, watery, floral, cyclamen, sweet
florhydral - -1.8182 7    floral, green, muguet, linden_flower, lily_of_the_valley, fresh
7-methoxycitronellal - -1.8182 7    fresh, melon, floral, lily, sweet
      0.5264-1.7009