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
76 Bis(7-methyloctyl) Cyclohexane-1,2-dicarboxylate CC(C)CCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCCC(C)C 166412-78-8 424.66 C26H48O4 11524680 ZINC85221284 View
77 p-Heptylbenzenethiol CCCCCCCC1=CC=C(C=C1)S _ 208.36 C13H20S 11528583 ZINC116453324 View
78 CID 11664966 C/C(=NOCC1=CC=CC=C1/C(=NOC)/C(=O)OC)/C2=CC(=CC=C2)C(F)(F)F 141517-21-7 408.37 C20H19F3N2O4 11664966 ZINC143101053 View
79 Cyclotetraglucose C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@H]3[C@@H]([C@H](O[C@@H]([C@@H]3O)OC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)O[C@H]5[C@@H]([C@H](O[C@@H]([C@@H]5O)O1)CO)O)O)O)O)CO)O)O)O)O 159640-28-5  648.56 C24H40O20 11686063 ZINC169601255 View
80 Pyrasulfotole CC1=C(C(=O)N(N1)C)C(=O)C2=C(C=C(C=C2)C(F)(F)F)S(=O)(=O)C 365400-11-9 362.32 C14H13F3N2O4S 11693711 ZINC36519702 View
81 Strychnine(1+) C1C[NH+]2CC3=CCO[C@H]4CC(=O)N5[C@H]6[C@H]4[C@H]3C[C@H]2[C@@]61C7=CC=CC=C75 1421-86-9 335.42 C21H22N2O2 11859396 ZINC119434 View
82 Sodium;gold(1+);hydron;2-sulfidobutanedioate [H+].C(C(C(=O)[O-])[S-])C(=O)[O-].[Na+].[Au+] 12244-57-4 368.09 C4H3AuNa2O4S 11954225 View
83 Clioquinol C1=CC2=C(C(=C(C=C2Cl)I)O)N=C1 130-26-7 305.50 C9H5ClINO 2788 ZINC6409735 View
84 Prohexadione-Calcium CCC(=C1C(=O)CC(CC1=O)C(=O)[O-])[O-].[Ca+2] 127277-53-6 250.26 C10H10CaO5 12001831 View
85 Propoxycarbazone-sodium CCCOC1=NN(C(=O)N1C)C(=O)[N-]S(=O)(=O)C2=CC=CC=C2C(=O)OC.[Na+] 181274-15-7 420.37 C15H17N4NaO7S 12056759 View
86 Saccharin potassium C1=CC=C2C(=C1)C(=O)[N-]S2(=O)=O.[K+] 10332-51-1 221.27 C7H4KNO3S 12193862 View
87 (+)-Pentazocine C[C@@H]1[C@@H]2CC3=C([C@]1(CCN2CC=C(C)C)C)C=C(C=C3)O 7361-76-4 285.42 C19H27NO 12259685 ZINC2015833 View
88 Endrin C1[C@@H]2[C@@H]3[C@H]([C@H]1[C@H]4[C@@H]2O4)[C@@]5(C(=C([C@]3(C5(Cl)Cl)Cl)Cl)Cl)Cl 72-20-8 380.91 C12H8Cl6O 12358480 ZINC100066759 View
89 Cannabicyclohexanol CCCCCCCC(C)(C)C1=CC(=C(C=C1)[C@@H]2CCC[C@@H](C2)O)O 70434-92-3 332.52 C22H36O2 12788231 ZINC64857817 View
90 Calcium 5'-guanylate C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)NC(=NC2=O)N.[Ca+2] 38966-30-2 401.28 C10H12CaN5O8P 135565649 View
91 Deltamethrin CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C 52918-63-5 505.20 C22H19Br2NO3 40585 ZINC1532094 View
92 Carbon monoxide [C-]#[O+] 630-08-0 28.01 CO 281 View
93 Clotrimazole C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4 23593-75-1 344.84 C22H17ClN2 2812 ZINC3807804 View
94 Cadmium tetrafluoroborate [B-](F)(F)(F)F.[B-](F)(F)(F)F.[Cd+2] 14486-19-2 286.02 B2CdF8 12886773 View
95 Erythrosine C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)I)[O-])I)I)[O-])I.[Na+].[Na+] 16423-68-0 879.86 C20H8I4O5 12961638 ZINC8214556 View
96 Sulfamethazine sodium CC1=CC(=NC(=N1)[N-]S(=O)(=O)C2=CC=C(C=C2)N)C.[Na+] 1981-58-4 300.31 C12H13N4NaO2S 13456556 View
97 Cyclophosphamide C1CNP(=O)(OC1)N(CCCl)CCCl 50-18-0 261.09 C7H15Cl2N2O2P 2907 ZINC155694 View
98 Calcium diascorbate C([C@@H]([C@@H]1C(=C(C(=O)O1)O)[O-])O)O.C([C@@H]([C@@H]1C(=C(C(=O)O1)O)[O-])O)O.[Ca+2] 5743-27-1 390.31 C12H14CaO12 13788048 View
99 Cellulose C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O 9004-34-6 370.35 C12H22O11 16211032 ZINC4097113 View
100 Secobarbital sodium CCCC(C)C1(C(=O)NC(=O)[N-]C1=O)CC=C.[Na+] 309-43-3 260.26 C12H18N2O3 14148199 ZINC3874950 View
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