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 Details
26 Disodium fumarate C(=C/C(=O)[O-])C(=O)[O-].[Na+].[Na+] 17013-01-3 160.04 C4H2Na2O4 6364607 View
27 CYCLIZINE HCl CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl 303-25-3 302.84 C18H23ClN2 6420019 View
28 Pyraclostrobin COC(=O)N(C1=CC=CC=C1COC2=NN(C=C2)C3=CC=C(C=C3)Cl)OC 175013-18-0 387.82 C19H18ClN3O4 6422843 ZINC2511853 View
29 Methyl abietate CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)OC)C 127-25-3 316.48 C21H32O2 173058 ZINC2162184 View
30 Ammonium hydrogen tartrate C(C(C(=O)[O-])O)(C(=O)O)O.[NH4+] 3095-65-6 167.12 C4H9NO6 6432315 View
31 Chlordiazepoxide CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O 58-25-3 299.75 C16H14ClN3O 2712 ZINC19632917 View
32 19-Norpregn-5(10)-en-20-yn-3-one, 17-hydroxy-, (17alpha)- CC12CCC3C(C1CC[C@@]2(C#C)O)CCC4=C3CCC(=O)C4 _ 298.42 C20H26O2 6432650 View
33 Abamectin CCC(C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)C)C.C[C@H]1/C=C/C=C/2CO[C@H]3[C@@]2([C@@H](C=C([C@H]3O)C)C(=O)O[C@H]4C[C@@H](C/C=C(/[C@H]1O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O)OC)OC)C)O[C@]7(C4)C=C[C@@H]([C@H](O7)C(C)C)C)O 71751-41-2 1732.13 C49H74O14 6435890 ZINC238808978 View
34 1-Butyl-5-carboxypentyl 6-decenoate CCCCC(CCCCC(=O)O)OC(=O)CCCC/C=C/CCC 85392-06-9 340.50 C20H36O4 6441974 View
35 Calcium hydroxide, hydrate O.[OH-].[OH-].[Ca+2] 1332-69-0 92.11 CaH4O3 6451242 View
36 Acetoxyvalerenic Acid C[C@@H]1CC[C@H](C2=C(C[C@H]([C@H]12)OC(=O)C)C)/C=C(C)/C(=O)O 81397-67-3 292.37 C17H24O4 6537490 ZINC17263727 View
37 Nitrofurantoin C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-] 67-20-9 238.16 C8H6N4O5 6604200 ZINC3875368 View
38 C-Quens CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)CCC34C)Cl)C)OC(=O)C _ 404.93 C23H29ClO4 2714 ZINC608246 View
39 Cellothyl COCC1C(C(C(C(O1)OC)OC)OC)OC2C(C(C(C(O2)CO)OC)O)O 99638-59-2 412.43 C17H32O11 6850753 ZINC38189420 View
40 Alginic acid COC1C(C(C(OC1C(=O)O)OC2C(C(C(OC2C(=O)O)OC)O)O)O)O 9005-34-9 398.32 C14H22O13 6850754 View
41 Cisaprida CO[C@H]1CN(CC[C@H]1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCOC3=CC=C(C=C3)F 81098-60-4 465.95 C23H29ClFN3O4 6917698 ZINC3775140 View
42 (2S)-2-Azaniumyl-3-(1H-indol-3-yl)propanoate C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)[O-])[NH3+] 73-22-3 204.23 C11H12N2O2 6923516 ZINC83315 View
43 Naproxen sodium CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-].[Na+] 26159-34-2 229.25 C14H13NaO3 23681059 View
44 (R)-Octinoxate CCCC[C@@H](CC)COC(=O)/C=C/C1=CC=C(C=C1)OC 5466-77-3 290.40 C18H26O3 6993341 ZINC1633887 View
45 Chloroquine CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl 54-05-7 319.87 C18H26ClN3 2719 ZINC19144226 View
46 CID 9793941 [O-]S(=O)S(=O)[O-].[Ca+2] 15512-36-4 168.21 CaO4S2 9793941 View
47 Flonicamid C1=CN=CC(=C1C(F)(F)F)C(=O)NCC#N 158062-67-0 229.16 C9H6F3N3O 9834513 ZINC13827887  View
48 Phytonadione, (Z)- CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 16033-41-3 450.70 C31H46O2 9846607 ZINC11592578 View
49 Cyazofamid CC1=CC=C(C=C1)C2=C(N=C(N2S(=O)(=O)N(C)C)C#N)Cl 120116-88-3 324.79 C13H13ClN4O2S 9862076 ZINC2526846 View
50 Rivaroxaban C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl 366789-02-8 435.88 C19H18ClN3O5S 9875401 ZINC3964126 View
Showing 26 to 50 of total 1124 entries