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
1301 4-Mercapto-2-butanone CC(=O)CCS 34619-12-0 104.17 C4H8OS 61936 ZINC5196560 0 2 View
1302 Piperitenone oxide CC(=C1CCC2(C(C1=O)O2)C)C 35178-55-3 166.22 C10H14O2 61942 ZINC1850520  0 2 View
1303 Pyrazineethanethiol C1=CN=C(C=N1)CCS 35250-53-4 140.21 C6H8N2S 61945 ZINC4802601 0 10 View
1304 2-Methyl-5,7-dihydrothieno[3,4-d]pyrimidine CC1=NC=C2CSCC2=N1 36267-71-7 152.22 C7H8N2S 61951 ZINC1850507 0 5 View
1305 Theaspirane CC1CCC2(O1)C(=CCCC2(C)C)C 36431-72-8 194.31 C13H22O 61953 ZINC1850501  0 16 View
1306 o-Tolyl isobutyrate CC1=CC=CC=C1OC(=O)C(C)C 36438-54-7 178.23 C11H14O2 61954 ZINC1850500 0 3 View
1307 Furfuryl pentanoate CCCCC(=O)OCC1=CC=CO1 36701-01-6 182.22 C10H14O3 61955 ZINC1850498 0 11 View
1308 Benzyl 2-methylbut-2-enoate CC=C(C)C(=O)OCC1=CC=CC=C1 67674-41-3 190.24 C12H14O2 61967 ZINC1695462 0 4 View
1309 5-Methoxy-2-methylthiazole CC1=NC=C(S1)OC 38205-64-0 129.18 C5H7NOS 61976 ZINC1850481 0 4 View
1310 Spiro(1,3-dithiolo(4,5-b)furan-2,3'(2'H)-furan), hexahydro-2',3a-dimethyl- CC1C2(CCO1)SC3CCOC3(S2)C 38325-25-6 232.36 C10H16O2S2 61979 ZINC1850480 0 2 View
1311 Ethyl 2-(ethylamino)benzoate CCNC1=CC=CC=C1C(=O)OCC 38446-21-8 193.24 C11H15NO2 61980 ZINC1850478 0 5 View
1312 p-Mentha-8-thiol-3-one CC1CCC(C(=O)C1)C(C)(C)S 38462-22-5 186.31 C10H18OS 61982 ZINC409328 0 12 View
1313 Hexyl 2-furoate CCCCCCOC(=O)C1=CC=CO1 39251-86-0 196.24 C11H16O3 61984 ZINC1850470 0 6 View
1314 Furfuryl octanoate CCCCCCCC(=O)OCC1=CC=CO1 39252-03-4 224.30 C13H20O3 61985 ZINC1850468 0 7 View
1315 2-Acetyl-1-ethylpyrrole CCN1C=CC=C1C(=O)C 39741-41-8 137.18 C8H11NO 61988 ZINC1850460 0 2 View
1316 4,4'-Thiobis-2-butanone CC(=O)CCSCCC(=O)C 40790-04-3 174.26 C8H14O2S 61989 ZINC1675676 0 3 View
1317 3-Heptyldihydro-5-methyl-2(3H)-furanone CCCCCCCC1CC(OC1=O)C 40923-64-6 198.30 C12H22O2 61990 ZINC1850454 0 6 View
1318 Allyl thiopropionate CCC(=O)SCC=C 41820-22-8 130.21 C6H10OS 61995 ZINC1850438 0 6 View
1319 2-Butenoic acid, 3-methyl-, 2-phenylethyl ester CC(=CC(=O)OCCC1=CC=CC=C1)C 42078-65-9 204.26 C13H16O2 61997 ZINC1850435 0 3 View
1320 4-(Methylthio)butanal CSCCCC=O 42919-64-2 118.20 C5H10OS 62000 ZINC1850433 0 3 View
1321 2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2E)- CC=CC(=O)C1C(=CCCC1(C)C)C 43052-87-5 192.30 C13H20O 62002 ZINC5829553 5 13 View
1322 4-Methylnonanoic acid CCCCCC(C)CCC(=O)O 45019-28-1 172.26 C10H20O2 62003 ZINC1850428 0 4 View
1323 2-Phenyl-3-carbethoxyfuran CCOC(=O)C1=C(OC=C1)C2=CC=CC=C2 50626-02-3 216.23 C13H12O3 62007 ZINC1850427 0 2 View
1324 3-(Methylthio)hexyl acetate CCCC(CCOC(=O)C)SC 51755-85-2 190.30 C9H18O2S 62013 ZINC1850422 0 6 View
1325 1-Acetylcyclohexyl acetate CC(=O)C1(CCCCC1)OC(=O)C 52789-73-8 184.23 C10H16O3 62017 ZINC1850419 0 7 View
Showing 1301 to 1325 of total 3985 entries