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
2776 Ethanone, 1-(3-methyl-2-benzofuranyl)- CC1=C(OC2=CC=CC=C12)C(=O)C 23911-56-0 88.15 C5H12O 2507689 ZINC3389512 0 3 View
2777 (S)-(-)-2-Methyl-1-butanol CCC(C)CO 1565-80-6 96.06 C3H5NaO2 2723602 ZINC2040993 0 3 View
2778 (S)-(+)-2-Octanol CCCCCCC(C)O 1559381 138.10 C5H7NaO3 2723888 ZINC2013560  0 6 View
2779 Sodium 3-methyl-2-oxobutanoate vCC(C)C(=O)C(=O)[O-].[Na+] 3715-29-5 150.22 C10H14O 2724059 ZINC1532553 0 1 View
2780 (-)-Perillaldehyde CC(=C)C1CCC(=CC1)C=O 18031-40-8 154.25 C10H18O 2724159 ZINC1529472 0 13 View
2781 (+)-Terpinen-4-ol CC1=CCC(CC1)(C(C)C)O 2438-10-0 228.33 C13H24O3 2724161 ZINC3861537 0 4 View
2782 l-Menthyl lactate CC1CCC(C(C1)OC(=O)C(C)O)C(C)C 59259-38-0 144.26 C6H8S2 2724573 ZINC2539653 0 3 View
2783 1-(2-Thienyl)ethanethiol CC(C1=CC=CS1)S 94089-02-8 116.20 C7H16O 2724626 ZINC6661650 0 2 View
2784 (S)-(+)-2-Heptanol CCCCCC(C)O 6033-23-4 128.21 C8H16O 2724897 ZINC2003566 0 7 View
2785 (S)-1-Octen-3-ol CCCCCC(C=C)O 24587-53-9 142.20 C8H14O2 2724898 ZINC2026960 0 9 View
2786 trans-2-Hexenyl acetate CCCC=CCOC(=O)C 2497-18-9 218.31 C10H18O3S 2733294 ZINC2036101 0 9 View
2787 3-(Acetylmercapto)hexyl acetate CCCC(CCOC(=O)C)SC(=O)C 136954-25-1 146.19 C10H10O 2733977 ZINC2389359 0 15 View
2788 2,3-Dimethylbenzofuran CC1=C(OC2=CC=CC=C12)C 3782-00-1 136.19 C9H12O 2734646 ZINC2555390 0 10 View
2789 (S)-(-)-1-Phenyl-1-propanol CCC(C1=CC=CC=C1)O 613-87-6 846.91 C40H62O19 2734864 ZINC1622057  0 1 View
2790 (E)-2-Phenylpropenyl acetate CC(=COC(=O)C)C1=CC=CC=C1 37973-51-6 206.28 C12H18N2O 2753159 ZINC4701706 0 5 View
2791 [4-(4-Methylpiperazin-1-yl)phenyl]methanol CN1CCN(CC1)C2=CC=C(C=C2)CO 342405-34-9 230.34 C13H26O3 2776492 ZINC158907 0 2 View
2792 Hydroxycitronellal propyleneglycol acetal CC1COC(O1)CC(C)CCCC(C)(C)O 93804-64-9 200.32 C12H24O2 2839751 ZINC295522 0 4 View
2793 1-Methoxy-4-(1-methoxy-1-methylethyl)-1-methylcyclohexane CC1(CCC(CC1)C(C)(C)OC)OC 26946-66-7 146.25 C7H14OS 3015339 ZINC33506070 0 6 View
2794 3-(Methylthio)hexanal CCCC(CC=O)SC 38433-74-8 174.24 C9H18O3 3015979 ZINC33506402 0 6 View
2795 2-Hydroxypropyl hexanoate CCCCCC(=O)OCC(C)O 39556-41-7 162.25 C7H14O2S 3016085 ZINC33506464 0 3 View
2796 Ethyl 2-methyl-2-(methylthio)propionate CCOC(=O)C(C)(C)SC 49773-24-2 199.33 C12H25NO 3016499 ZINC2510283 0 5 View
2797 n-Ethyl-2,2-diisopropylbutanamide CCC(C(C)C)(C(C)C)C(=O)NCC 51115-70-9 194.27 C12H18O2 3016598 ZINC33506886 0 2 View
2798 3-Mercaptoheptan-4-one CCCC(=O)C(CC)S 63458-78-6 172.26 C10H20O2 3017418 ZINC33605202 0 4 View
2799 2H-Pyran-4-ol, tetrahydro-4-methyl-2-(2-methylpropyl)- CC(C)CC1CC(CCO1)(C)O 63500-71-0 168.28 C11H20O 3017432 ZINC2534719 0 7 View
2800 1,5-Undecadien-4-ol CCCCCC=CC(CC=C)O 64677-46-9 156.18 C8H12O3 3017534 ZINC44709873 0 4 View
Showing 2776 to 2800 of total 3985 entries