Odorants & Odorless Compounds

Odorants are volatile and largely hydrophobic organic compounds possessing odors while odorless compounds are chemicals which do not possess or are associated with any odor. OlfactionBase comprises of 3985 odorant molecules representing an array of odors and 1124 odorless compounds. Odorant molecules are classified by 30 functional groups such as (acid, alcohol, aldehyde, alkane, cyclic, ether, ester, ketone, thiol, etc.). Each molecule entry includes detail information about physicochemical properties, odor profile, pharmacokinetic profile and drug likeness and cross-references to other biological databases. Among 3985 odorant molecules, 197 molecules are associated with 156 Olfactory receptors belonging to two species (Human and Mus musculus). The user-friendly interface of Olfactionbase facilitates exploration of chemicals in various ways: search chemical compounds with CAS No., odor and sub-odors, functional group, SMILES notation and molecular weight.

 

 

Sr.No. Name SMILES CAS No Mol. Wt. Mol. Formula PubChem ZINC #OR's #Odors Details
2851 Maltyl isobutyrate CC1=C(C(=O)C=CO1)OC(=O)C(C)C 65416-14-0 149.28 C5H11NS2 3354132 ZINC2384607 3 11 View
2852 N-(2-Mercaptoethyl)-1,3-thiazolidine C1CSCN1CCS 317803-03-5 152.19 C9H12O2 3458885 ZINC000000335433 0 2 View
2853 2-(Ethoxymethyl)phenol CCOCC1=CC=CC=C1O 20920-83-6 152.19 C9H12O2 3486665 ZINC5334404 0 6 View
2854 3-(5-Methyl-2-furyl)butanal CC1=CC=C(O1)C(C)CC=O 31704-80-0 252.39 C16H28O2 3578033 ZINC2557908 0 2 View
2855 (7E)-1-Oxacycloheptadec-7-en-2-one C1CCCCC=CCCCCC(=O)OCCCC1 7779-50-2 272.38 C18H24O2 3591866 ZINC196561579 0 10 View
2856 Isobornyl phenylacetate CC1(C2CCC1(C(C2)OC(=O)CC3=CC=CC=C3)C)C 94022-06-7 198.30 C12H22O2 3656473 ZINC1686302 0 2 View
2857 Cyclohexylpropyl propionate CCC(=O)OCCCC1CCCCC1 97158-38-8 138.23 C8H10S 3662099 ZINC33853819 0 4 View
2858 2-Ethylbenzenethiol CCC1=CC=CC=C1S 4500-58-7 152.23 C10H16O 3734338 ZINC19735106 0 5 View
2859 3-Methyl-5-propyl-2-cyclohexen-1-one CCCC1CC(=CC(=O)C1)C 3720-16-9 168.19 C9H12O3 3782139 ZINC3881404 0 5 View
2860 Epoxyoxophorone CC1(CC(=O)C2C(C1=O)(O2)C)C 38284-11-6 194.23 C11H14O3 3853254 ZINC95618206 0 6 View
2861 Ethyl (4-methylphenoxy)acetate CCOC(=O)COC1=CC=C(C=C1)C 67028-40-4 325.36 C19H19NO4 4047281 ZINC2557912 0 5 View
2862 2-((3-(1,3-Benzodioxol-5-yl)-2-methylpropylidene)amino)benzoic acid methyl ester CC(CC1=CC2=C(C=C1)OCO2)C=NC3=CC=CC=C3C(=O)OC 111753-60-7 171.30 C9H17NS 4100752 ZINC4530952 0 8 View
2863 4,5-Dimethyl-2-isobutyl-3-thiazoline CC1C(=NC(S1)CC(C)C)C 65894-83-9 152.12 C6H9NaO3 4120025 ZINC21999673 0 11 View
2864 Sodium 4-methyl-2-oxovalerate CC(C)CC(=O)C(=O)[O-].[Na+] 4502-00-5 180.16 C6H12O6 4137900 ZINC1532578  0 2 View
2865 1,3-Dihydroxyacetone dimer C1C(OCC(O1)(CO)O)(CO)O 62147-49-3 136.15 C8H8O2 4180364 ZINC2510059 0 4 View
2866 2-(Methylthio)ethyl acetate CC(=O)OCCSC 5862-47-5 184.23 C10H16O3 4447651 ZINC2165902 0 5 View
2867 3-Isopropenyl-6-oxoheptanoic acid CC(=C)C(CCC(=O)C)CC(=O)O 4436-82-2 114.10 C5H6O3 4488713 ZINC1532254 0 2 View
2868 4-Hydroxy-5-methylfuran-3(2H)-one CC1=C(C(=O)CO1)O 19322-27-1 166.26 C11H18O 4564493 ZINC84397744 0 6 View
2869 2-Hexylidene cyclopentanone CCCCCC=C1CCCC1=O 17373-89-6 146.25 C7H14OS 4574094 ZINC2166786 0 8 View
2870 4-Methyl-4-(methylthio)-2-pentanone CC(=O)CC(C)(C)SC 23550-40-5 150.13 C8H6O3 4682590 ZINC2509980 0 10 View
2871 2,3-Dihydro-1,4-benzodioxin-2-one C1C(=O)OC2=CC=CC=C2O1 4385-48-2 194.27 C12H18O2 4685450 ZINC4141385 0 1 View
2872 Sedanolide CCCCC1C2CCCC=C2C(=O)O1 6415-59-4 141.21 C8H15NO 5018391 ZINC2555622 0 2 View
2873 Acetonitrile, (hexyloxy)- CCCCCCOCC#N 66912-24-1 210.27 C12H18O3 5063293 ZINC3130521 0 4 View
2874 Vanillyl butyl ether CCCCOCC1=CC(=C(C=C1)O)OC 82654-98-6 210.31 C13H22O2 5084146 ZINC2561203 0 3 View
2875 8-(1,1-Dimethylethyl)-1-oxaspiro(4.5)decan-2-one CC(C)(C)C1CCC2(CC1)CCC(=O)O2 72258-83-4 140.22 C9H16O 5260295 ZINC33807969 0 3 View
Showing 2851 to 2875 of total 3985 entries