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
1626 Nerolidyl propionate CCC(=O)OC(C)(CCC=C(C)CCC=C(C)C)C=C 7149-34-0 278.43 C18H30O2 81573 ZINC1697416 0 1 View
1627 Heptyl benzoate CCCCCCCOC(=O)C1=CC=CC=C1 7155-12--6 220.31 C14H20O2 81591 ZINC1684746 0 6 View
1628 3-(Ethylthio)propanoic acid CCSCCC(=O)O 7244-82-8 134.20 C5H10O2S 81659 ZINC1729241 0 2 View
1629 3-Phenylbut-3-enyl acetate CC(=O)OCCC(=C)C1=CC=CC=C1 7306-12--9 190.24 C12H14O2 81739 ZINC2559337 0 7 View
1630 Ethyl 2-methoxybenzoate CCOC(=O)C1=CC=CC=C1OC 7335-26-4 180.20 C10H12O3 81784 ZINC2560581 0 6 View
1631 4-Methyl-4-phenylpentan-2-one CC(=O)CC(C)(C)C1=CC=CC=C1 7403-42-1 176.25 C12H16O 81898 ZINC1685156 0 5 View
1632 Phenethyl valerate CCCCC(=O)OCCC1=CC=CC=C1 7460-74-4 206.28 C13H18O2 81964 ZINC1597133 0 4 View
1633 3-Thiophenethiol C1=CSC=C1S 7774-73-4 116.20 C4H4S2 82202 ZINC100057647 0 3 View
1634 (+)-alpha-Pinene CC1=CCC2CC1C2(C)C 7785-70-8 136.23 C10H16 82227 ZINC967579 0 5 View
1635 (-)-Fenchone CC1(C2CCC(C2)(C1=O)C)C 7787-20-4 152.23 C10H16O 82229 ZINC967570 3 7 View
1636 Methyl 2-(dimethylamino)benzoate CN(C)C1=CC=CC=C1C(=O)OC 10072-05-6 179.22 C10H13NO2 82336 ZINC1632744 0 4 View
1637 2-Phenylethyl 3-hydroxypropanoate C1=CC=C(C=C1)CCOC(=O)CCO 10138-63-3 194.23 C11H14O3 82397 ZINC5851613 0 3 View
1638 2,6-Dimethylheptan-4-yl acetate CC(C)CC(CC(C)C)OC(=O)C 10250-45-0 186.29 C11H22O2 82493 ZINC2564136 0 5 View
1639 Benzyl octanoate CCCCCCCC(=O)OCC1=CC=CC=C1 10276-85-4 234.33 C15H22O2 82511 ZINC1608575 0 5 View
1640 Benzyl valerate CCCCC(=O)OCC1=CC=CC=C1 10361-39-4 192.25 C12H16O2 82584 ZINC2515963 0 6 View
1641 2-Butoxynaphthalene CCCCOC1=CC2=CC=CC=C2C=C1 10484-56-7 200.28 C14H16O 82664 ZINC2170183 0 6 View
1642 2-Hydroxycyclopent-2-en-1-one C1CC(=O)C(=C1)O 10493-98-8 98.10 C5H6O2 82674 ZINC5188135 0 2 View
1643 Ethyl undec-2-ynoate CCCCCCCCC#CC(=O)OCC 10519-17-2 210.31 C13H22O2 82694 ZINC2384626 0 3 View
1644 Acetaldehyde diisoamyl acetal CC(C)CCOC(C)OCCC(C)C 13002-09-0 202.33 C12H26O2 83036 ZINC5441112 0 5 View
1645 2,6-Dimethyl-2-heptanol CC(C)CCCC(C)(C)O 13254-34-7 144.25 C9H20O 83268 ZINC2545280 0 6 View
1646 Dimethyl Phenylpropano CC(C)(CC1=CC=CC=C1)CO 13351-61-6 164.24 C11H16O 83367 ZINC2167044 0 3 View
1647 2-(Diethoxymethyl)furan CCOC(C1=CC=CO1)OCC 13529-27-6 170.21 C9H14O3 83553 ZINC406959 0 4 View
1648 1-(2-Thienyl)propane-1,2-dione CC(=O)C(=O)C1=CC=CS1 13678-69-8 154.19 C7H6O2S 83652 ZINC5196288 0 1 View
1649 2-Acetyl-3-methylthiophene CC1=C(SC=C1)C(=O)C 13679-72-6 140.20 C7H8OS 83653 ZINC1081110 0 5 View
1650 2-Acetyl-5-methylthiophene CC1=CC=C(S1)C(=O)C 13679-74-8 140.20 C7H8OS 83655 ZINC2146674 0 9 View
Showing 1626 to 1650 of total 3985 entries