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
2701 Sorbic alcohol CC=CC=CCO 17102-64-6 162.19 C10H10O2 641256 ZINC2041062 0 15 View
2702 4-Methoxycinnamaldehyde COC1=CC=C(C=C1)C=CC=O 24680-50-0 162.19 C10H10O2 641294 ZINC1531852 0 10 View
2703 2-Methoxycinnamaldehyde COC1=CC=CC=C1C=CC=O 1504-74-1 150.22 C10H14O 641298 ZINC1704608 0 9 View
2704 (R)-4-Phenyl-2-butanol CC(CCC1=CC=CC=C1)O 2344-70-9 188.22 C12H12O2 641354 ZINC1695428 0 6 View
2705 Allyl cinnamate C=CCOC(=O)C=CC1=CC=CC=C1 1866-31-5 114.14 C6H10O2 641423 ZINC1577285 0 9 View
2706 4-Methyl-2-pentenoic acid CC(C)C=CC(=O)O 10321-71-8 254.37 C12H14O2S2 642039 ZINC153584 1 4 View
2707 3,3'-Dithiobis(2,5-dimethylfuran) CC1=CC(=C(O1)C)SSC2=C(OC(=C2)C)C 28588-73-0 188.22 C12H12O2 642117 ZINC32302477 0 1 View
2708 Butylidenephthalide CCCC=C1C2=CC=CC=C2C(=O)O1 551-08-6 136.19 C9H12O 642376 ZINC1573356  0 5 View
2709 2-Allyl-3-methylcyclopent-2-en-1-one CC1=C(C(=O)CC1)CC=C 3569-36-6 114.14 C6H10O2 642534 ZINC138190508 0 3 View
2710 (R)-6-Methyltetrahydro-2H-pyran-2-one CC1CCCC(=O)O1 43112-32-9 162.19 C10H10O2 642771 ZINC4521557 0 2 View
2711 (3S)-3,6-Dimethyl-3H-1-benzofuran-2-one CC1C2=C(C=C(C=C2)C)OC1=O 65817-24-5 116.16 C6H12O2 642887 ZINC32302828 0 0 View
2712 Methyl (2S)-2-methylbutanoate CCC(C)C(=O)OC 10307-60-5 98.14 C6H10O 643001 ZINC391207 0 2 View
2713 3-Hexenal CCC=CCC=O 4440-65-7 290.48 C20H34O 643139 ZINC1843472  0 13 View
2714 cis-Abienol CC(=CCC1C2(CCCC(C2CCC1(C)O)(C)C)C)C=C 17990-16-8 138.21 C9H14O 643723 ZINC3978560 0 3 View
2715 trans-2,cis-6-Nonadienal CCC=CCCC=CC=O 557-48-2 174.11 C6H6O6 643731 ZINC4529351 1 9 View
2716 Neral CC(=CCCC(=CC=O)C)C 106-26-3 154.25 C10H18O 643779 ZINC12358789 0 3 View
2717 Nerol CC(=CCCC(=CCO)C)C 106-25-2 100.12 C5H8O2 643820 ZINC12405252 0 12 View
2718 Angelic acid CC=C(C)C(=O)O 565-63-9 98.14 C6H10O 643915 ZINC897447 0 1 View
2719 cis-3-Hexenal CCC=CCC=O 6789-80-6 116.16 C6H12O2 643941 ZINC12153803 0 17 View
2720 Methyl (R)-2-methylbutanoate CCC(C)C(=O)OC 55449-44-0 146.18 C7H14O3 644216 ZINC12153803 0 2 View
2721 Ethyl 3-hydroxy-2-methylbutyrate CCOC(=O)C(C)C(C)O 27372-03-8 236.26 C13H16O4 656467 ZINC13513044 0 1 View
2722 Ethyl vanillin isobutyrate CCOC1=C(C=CC(=C1)C=O)OC(=O)C(C)C 188417-26-7 166.17 C9H10O3 673160 ZINC35111 0 7 View
2723 Ethyl 3-(2-furyl)acrylate CCOC(=O)C=CC1=CC=CO1 623-20-1 192.30 C13H20O 699489 ZINC78176 0 5 View
2724 Furfural acetone CC(=O)C=CC1=CC=CO1 623-15-4 254.32 C17H18O2 735940 ZINC154592 0 10 View
2725 Benzyl isoeugenol CC=CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC 120-11-6 204.26 C13H16O2 764139 ZINC238671 0 5 View
Showing 2701 to 2725 of total 3985 entries