VirtualTaste

Natural Compounds

The taste of a selection of natural compounds was predicted using our taste prediction models. This dataset includes compounds that were predicted to either have a sweet (S) or bitter (B) taste. All of these compounds can be found in the Supernatural II Database and can be accessed through the Supernatural ID links.

Supernatural ID	SMILES	Taste	Confidence
SN00374082	C(=C\C(=O)OCC)/c1c(C)cccc1	B	0.958000004
SN00374103	c1(c(=O)c(coc1C)OC)OC	B	0.962000012
SN00374114	C(C[C@H](CCCCCCCCCCCC)C)[C@@H](C)C	B	0.984000027
SN00374190	C(=O)([C@@H](CC)C)OCCCCC	B	0.959999979
SN00374273	[C@@H](CBr)(Cl)O	B	0.963999987
SN00374434	c12c(oc(c(c2=O)O)c2cc(c(cc2)O)O)cc(c(c1O)C/C=C(/C)C)O	B	0.980000019
SN00374449	[C@H]12[C@H]3N(C[C@@H](C2)[C@@H]2N(C1)C(=O)CCC2)CCCC3	B	0.95599997
SN00374487	[C@@]123[C@H]4N(c5c1cc(c(c5)OC)OC)C(=O)C[C@H]1[C@H]4[C@H]4C[C@@H]2N(CC3)CC4=CCO1	B	0.966000021
SN00374531	C1(=C(CCC1=O)C)CCCCC	B	0.95599997
SN00374534	[C@@H]12[C@H]3N(C[C@H](C2)[C@H]2N(C1)C(=O)CCC2)CCCC3	B	0.95599997
SN00374685	C(=S)(N)N	B	0.953999996
SN00374957	c12c(oc3c(c1=O)cc1c(c3)OCO1)cc(c(c2OC)OC)OC	B	0.95599997
SN00375103	C(=C\CCCCCCC=O)/CCCC[C@@H](CC)C	B	0.962000012
SN00375411	[C@@H]12[C@@]([C@@H](C1)CC(=O)[C@@H]2C)(C)C	B	0.952000022
SN00375614	n1c(N)ccc2c1cccc2	B	0.958000004
SN00375625	C(=O)(OCC)CC/C=C\CCC	B	0.970000029
SN00375704	c12c(ccoc1=O)cccc2	B	0.976000011
SN00375730	C(=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(/CC/C=C(/C)C)C)C)C)C)C)\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CO)C)C)C)C)C	B	0.953999996
SN00375880	C(=O)(OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCC	B	0.995999992
SN00376016	Br[C@H](CBr)CCCCCCCCCCCC	B	0.970000029
SN00376079	C(=O)(OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC	B	0.995999992
SN00376393	[C@]123[C@@H]4[C@]5([C@H]6C[C@@H]1N(CC3)CC6=CCO[C@H]5CC(=O)N4c1c2cccc1)OCC	B	0.95599997
SN00376591	C1(=O)[C@H]([C@H](C)C)CC[C@@H](C1)C	B	0.991999984
SN00376631	c1(ccccc1)CS	B	0.977999985
SN00376655	[C@H](CCCCCCCCCCCCCCCCCCCCCCCCCC)(CCC)C	B	0.976000011

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