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
51 5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O 67604-48-2 272.25 C15H12O5 932 ZINC156701 0 0 View
52 1-Octanol CCCCCCCCO 111-87-5 130.23 C8H18O 957 ZINC1532735 15 16 View
53 3-Hydroxypyruvic acid C(C(=O)C(=O)O)O 1113-60-6 104.06 C3H4O4 964 ZINC1532558 0 3 View
54 Hexadecanal CCCCCCCCCCCCCCCC=O 629-80-1 240.42 C16H32O 984 ZINC8216082 0 1 View
55 Palmitic acid CCCCCCCCCCCCCCCC(=O)O 57-10-3 256.42 C16H32O2 985 ZINC6072466 0 3 View
56 Phenol C1=CC=C(C=C1)O 108-95-2 94.11 C6H6O 996 ZINC5133329 0 5 View
57 Phenylpyruvic acid C1=CC=C(C=C1)CC(=O)C(=O)O 156-06-9 164.16 C9H8O3 997 ZINC901485 0 7 View
58 Phenylacetaldehyde C1=CC=C(C=C1)CC=O 122-78-1 120.15 C8H8O 998 ZINC895323 4 27 View
59 Phenylacetic acid C1=CC=C(C=C1)CC(=O)O 103-82-2 136.15 C8H8O2 999 ZINC388462 0 25 View
60 Phenethylamine C1=CC=C(C=C1)CCN 64-04-0 121.18 C8H11N 1001 ZINC6579654 0 2 View
61 Propanol CCCO 71-23-8 60.10 C3H8O 1031 ZINC895969 0 14 View
62 Propionic acid CCC(=O)O 79-09-4 74.08 C3H6O2 1032 ZINC6050663 2 8 View
63 Putrescine C(CCN)CN 110-60-1 88.15 C4H12N2 1045 ZINC5828633  0 3 View
64 Pyridine C1=CC=NC=C1 110-86-1 79.10 C5H5N 1049 ZINC895354 0 6 View
65 Pyruvic acid CC(=O)C(=O)O 127-17-3 88.06 C3H4O3 1060 ZINC1532517 0 11 View
66 Dimethyl sulfide CSC 75-18-3 62.13 C2H6S 1068 ZINC25783202 0 16 View
67 Tetrahydrothiophene C1CCSC1 110-01-0 88.17 C4H8S 1127 ZINC1680812 0 3 View
68 4-Methyl-5-thiazoleethanol CC1=C(SC=N1)CCO 137-00-8 143.21 C6H9NOS 1136 ZINC160790 0 12 View
69 Toluene CC1=CC=CC=C1 108-88-3 92.14 C7H8 1140 ZINC967534 0 3 View
70 Trimethylamine oxide C[N+](C)(C)[O-] 1184-78-7 75.11 C3H9NO 1145 ZINC895494 0 1 View
71 Trimethylamine CN(C)C 75-50-3 59.11 C3H9N 1146 ZINC8216125 0 8 View
72 Vanillin COC1=C(C=CC(=C1)C=O)O 121-33-5 152.15 C8H8O3 1183 ZINC2567933 11 6 View
73 Octahydro-4,8a-dimethyl-4a(2H)-naphthol CC1CCCC2(C1(CCCC2)O)C 16423-19-1 182.30 C12H22O 1213 ZINC2585474 0 4 View
74 Vanillylmandelic acid COC1=C(C=CC(=C1)C(C(=O)O)O)O 55-10-7 198.17 C9H10O5 1245 ZINC155973 0 2 View
75 Menthol CC1CCC(C(C1)O)C(C)C 1490-04-6 156.27 C10H20O 1254 ZINC967511 1 3 View
Showing 51 to 75 of total 3985 entries