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
1 1-Aminopropan-2-ol CC(CN)O 78-96-6 75.11 C3H9NO 4 ZINC4658592 0 1 View
2 3-methyl-2-oxobutanoic acid CC(C)C(=O)C(=O)O 759-05-7 116.12 C5H8O3 49 ZINC1532553 0 1 View
3 2-Oxobutyric acid CCC(=O)C(=O)O 600-18-0 102.09 C4H6O3 58 ZINC1532540 0 5 View
4 4-methyl-2-oxopentanoic acid CC(C)CC(=O)C(=O)O 816-66-0 130.14 C6H10O3 70 ZINC1532578 0 1 View
5 3,4-dihydroxybenzoic acid C1=CC(=C(C=C1C(=O)O)O)O 99-50-3 154.12 C7H6O4 72 ZINC13246 0 3 View
6 3-Phenylpropionic acid C1=CC=C(C=C1)CCC(=O)O 501-52-0 150.17 C9H10O2 107 ZINC154564 0 7 View
7 gamma-Aminobutyric acid C(CC(=O)O)CN 56-12-2 103.12 C4H9NO2 119 ZINC1532620 0 2 View
8 4-Hydroxybenzyl alcohol C1=CC(=CC=C1CO)O 623-05-2 124.14 C7H8O2 125 ZINC388762 0 4 View
9 4-Hydroxybenaldehyde C1=CC(=CC=C1C=O)O 123-08-0 122.12 C7H6O2 126 ZINC156709 0 9 View
10 4-Hydroxybenzoic acid C1=CC(=CC=C1C(=O)O)O 99-96-7 138.12 C7H6O3 135 ZINC332752 0 2 View
11 Acetic acid CC(=O)O 64-19-7 60.05 C2H4O2 176 ZINC5224164  0 5 View
12 Acetaldehyde CC=O 75-07-0 44.05 C2H4O 177 2 10 View
13 Acetoin CC(C(=O)C)O 513-86-0 88.11 C4H8O2 179 ZINC895238 1 6 View
14 Acetone CC(=O)C 67-64-1 58.08 C3H6O 180 ZINC895111 0 4 View
15 Ammonia N 7664-41-7 17.03 H3N 222 0 2 View
16 Benzaldehyde C1=CC=C(C=C1)C=O 100-52-7 106.12 C7H6O 240 ZINC895145 6 11 View
17 Benzene C1=CC=CC=C1 71-43-2 78.11 C6H6 241 ZINC967532  0 2 View
18 Benzoic acid C1=CC=C(C=C1)C(=O)O 65-85-0 122.12 C7H6O2 243 ZINC1011 0 2 View
19 Benzyl alcohol C1=CC=C(C=C1)CO 100-51-6 108.14 C7H8O 244 ZINC895302 2 12 View
20 Betaine C[N+](C)(C)CC(=O)[O-] 107-43-7 117.15 C5H11NO2 247 ZINC1532728 0 1 View
21 Butyraldehyde CCCC=O 123-72-8 72.11 C4H8O 261 ZINC1529195 1 16 View
22 2,3-Butanediol CC(C(C)O)O 513-85-9 90.12 C4H10O2 262 ZINC901616 0 4 View
23 1-Butanol CCCCO 71-36-3 74.12 C4H10O 263 ZINC1530354  0 11 View
24 Butyric acid CCCC(=O)O 107-92-6 88.11 C4H8O2 264 ZINC895132 8 9 View
25 cadaverine C(CCN)CCN 462-94-2 102.18 C5H14N2 273 ZINC1529253 0 1 View
Showing 1 to 25 of total 3985 entries