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
SN00244071	C(=C(\CC/C=C(/C)C)C)/COC(=O)CCCCCCCCCCCCC	B	0.998000026
SN00252161	C(=C\COC(=O)CC)(/CC/C=C(/C)C)C	B	0.998000026
SN00255977	O(CC)CCCCCCCC	B	0.998000026
SN00284417	C(=O)(OC/C=C(\CC/C=C(/C)C)C)CC	B	0.998000026
SN00363278	c1([C@@H](OC(=O)C)C)ccccc1	B	0.998000026
SN00372845	C(=C(\CC/C=C(/C)C)C)/COC(=O)CCCCCCC	B	0.998000026
SN00392499	O(C(=O)CC)[C@@H](c1ccccc1)C	B	0.998000026
SN00428136	CCCCCCCCCCCCCCCC[N@@+](C)(C)C	B	0.998000026
SN00237110	[C@H]12[C@]3(C[C@@](CC2)(C(=C)C3)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC[C@H]2[C@]1(CCC[C@]2(C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C	S	0.998000026
SN00238762	[C@@H]12[C@]3(C[C@@](CC2)(C(=C)C3)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC[C@H]2[C@]1(CCC[C@]2(C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C	S	0.998000026
SN00244058	[C@@]1([C@H]([C@@H]([C@H](O1)CO)O)O)(O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)OC)O)O)CO	S	0.998000026
SN00324075	[C@H]12[C@]3(C[C@@](CC2)(C(=C)C3)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O)CC[C@H]2[C@]1(CCC[C@]2(C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C	S	0.998000026
SN00340234	[C@H]12[C@]3(C[C@@](CC2)(C(=C)C3)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC[C@@H]2[C@]1(CCC[C@]2(C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C	S	0.998000026
SN00342056	[C@@H]12[C@]3(C[C@@](CC2)(C(=C)C3)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)CC[C@H]2[C@]1(CCC[C@]2(C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C	S	0.998000026
SN00345016	[C@@]12([C@]3([C@@H]([C@@]4([C@@H](CC3)[C@]([C@H](CC4)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)(C)C)CO)CC=C1[C@H]1[C@@](CC2)(CC[C@@](C1)(C(=O)O)C)C)C)C	S	0.998000026
SN00399600	[C@H]12[C@]3(C[C@@](CC2)(C(=C)C3)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)CC[C@H]2[C@]1(CCC[C@]2(C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C	S	0.998000026
SN00404209	[C@@]12(C(=CC[C@H]3[C@@]1(CC[C@H]1[C@]3(CC[C@H]([C@]1(C)C)O[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)C(=O)O)O)O)O[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)C(=O)O)CO)C)[C@H]1C[C@@](C(=O)O)(CC[C@]1(CC2)C)C)C	S	0.998000026
SN00428353	COc1c(O)cc(CCC(=O)c2c(O)cc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@H]3O)cc2O)cc1	S	0.998000026
SN00000559	c1ccc(cc1)c1cc(=O)c2ccccc2o1	B	0.995999992
SN00002138	C[N@@+](C)(C)CCCCCC[N@+](C)(C)C	B	0.995999992
SN00002205	C[N@@+](C)(C)CCCCCCCCCC[N@+](C)(C)C	B	0.995999992
SN00002297	C1=C(C(=O)C1=O)[O-]	B	0.995999992
SN00002468	C[C@H](CC/C=C(\C)C)CCOC(=O)C	B	0.995999992
SN00020484	CC[C@]1(C(=O)NC(=O)NC1=O)CC	B	0.995999992
SN00024306	c1cc(c(cc1c1cc(=O)c2c(cc(cc2o1)O)O)O)O	B	0.995999992

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