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
2376 Dodecyl isobutyrate CCCCCCCCCCCCOC(=O)C(C)C 6624-71-1 256.42 C16H32O2 243691 ZINC86051998 0 7 View
2377 Cyclohexyl butyrate CCCC(=O)OC1CCCCC1 1551-44-6 170.25 C10H18O2 243783 ZINC1684870 0 6 View
2378 Dodecyl butyrate CCCCCCCCCCCCOC(=O)CCC 3724-61-6 256.42 C16H32O2 245572 ZINC95618205 0 3 View
2379 2-Heptyl-2,4-dimethyl-1,3-dioxolane CCCCCCCC1(OCC(O1)C)C 165191-91-3 200.32 C12H24O2 246089 ZINC1689262 0 4 View
2380 3-Octanone CCCCCC(=O)CC 106-68-3 128.21 C8H16O 246728 ZINC1690036 6 20 View
2381 Ethyl 2-benzylacetoacetate CCOC(=O)C(CC1=CC=CC=C1)C(=O)C 620-79-1 220.26 C13H16O3 246929 ZINC163858 0 13 View
2382 Isobornyl acetate CC(=O)OC1CC2CCC1(C2(C)C)C 125-12-2 196.29 C12H20O2 247573 ZINC388662 0 7 View
2383 1,9-Nonanedithiol C(CCCCS)CCCCS 3489-28-9 192.39 C9H20S2 248488 ZINC3860657 0 5 View
2384 3,7-Dimethyloctane-1,7-diol CC(CCCC(C)(C)O)CCO 107-74-4 174.28 C10H22O2 249494 ZINC1694745 0 7 View
2385 Isovaleric acid, 2-bornyl ester CC(C)CC(=O)OC1CC2CCC1(C2(C)C)C 76-50-6 238.37 C15H26O2 249573 ZINC1851053 0 5 View
2386 (1s,2r,4r)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 2-hydroxybenzoate CC1(C2CCC1(C(C2)OC(=O)C3=CC=CC=C3O)C)C 560-88-3 274.35 C17H22O3 249579 ZINC1694881 0 6 View
2387 Benzyl tiglate CC=C(C)C(=O)OCC1=CC=CC=C1 37526-88-8 190.24 C12H14O2 250096 ZINC1695462 0 8 View
2388 Orris pyridine null 125352-06-9 185.27 C13H15N 135304328 0 5 View
2389 Linalyl phenylacetate CC(=CCCC(C)(C=C)OC(=O)CC1=CC=CC=C1)C 7143-69-3 142.20 C8H14O2 251529 ZINC2045163 0 6 View
2390 2-Methylallyl butyrate CCCC(=O)OCC(=C)C 7149-29-3 216.23 C13H12O3 251530 ZINC1697408 0 6 View
2391 Phenethyl 2-furoate C1=CC=C(C=C1)CCOC(=O)C2=CC=CO2 7149-32-8 228.28 C12H20O4 251531 ZINC1697411 0 6 View
2392 Diethyl 1,4-cyclohexanedicarboxylate CCOC(=O)C1CCC(CC1)C(=O)OCC 72903-27-6 125.19 C6H7NS 254555 ZINC1719268 0 4 View
2393 2-Pyridinemethanethiol C1=CC=NC(=C1)CS 2044-73-7 152.23 C10H16O 256071 ZINC4775643 0 7 View
2394 Thujone CC1C2CC2(CC1=O)C(C)C 546-80-5 178.18 C10H10O3 261491 ZINC4098408 0 1 View
2395 Difurfuryl ether C1=COC(=C1)COCC2=CC=CO2 4437-22-3 219.28 C13H17NO2 263034 ZINC1627247 0 4 View
2396 1-[4-(Morpholin-4-yl)phenyl]propan-1-one CCC(=O)C1=CC=C(C=C1)N2CCOCC2 8024-27-9 238.32 C14H22O3 268475 ZINC394771 0 4 View
2397 3,7-Dimethylocta-2,6-dienyl 3-oxobutanoate CC(=CCCC(=CCOC(=O)CC(=O)C)C)C 61759-64-6 158.19 C8H14O3 278476 ZINC1716708 0 5 View
2398 5-Oxooctanoic acid CCCC(=O)CCCC(=O)O 3637-14-7 178.23 C11H14O2 280190 ZINC1719144 0 1 View
2399 Methyl 4-phenylbutyrate COC(=O)CCCC1=CC=CC=C1 2046-17-5 112.13 C6H8O2 281254 ZINC1720924 0 5 View
2400 2(3H)-Furanone, 5-ethyl- CCC1=CCC(=O)O1 2313-01--1 184.28 C11H20O2 281853 ZINC1721525 0 1 View
Showing 2376 to 2400 of total 3985 entries