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
SN00399568	C(=O)(c1ncccc1)OCC	B	0.972000003
SN00399546	[C@H]([C@H]([C@@H](C=O)O)O)([C@H](CO)O)O	S	0.966000021
SN00399516	[C@@H](OC(=O)C)(CC/C=C(/C)C)C=C	B	0.977999985
SN00399513	[C@@]12([C@]3(C(=CC(=O)[C@@H]1[C@@]1([C@@H](CC2)[C@]([C@H](CC1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)(C)C)C)[C@H]1[C@@](CC3)(CC[C@](C1)(C(=O)O)C)C)C)C	S	0.972000003
SN00399366	c1([C@@H](CCC)CCCCCCC)ccccc1	B	0.970000029
SN00399354	c12c(c(=O)nc(n1C)C)cccc2	B	0.980000019
SN00399335	[C@H]([C@@](C=C)(C)C)(OC(=O)C)/C=C(/C)C	B	0.952000022
SN00399225	[C@H](CCCCCCCCCCCCNC(=O)C)(C)C	B	0.962000012
SN00399199	[C@@H](CCOC(=O)C)(CCC[C@@H](C)C)C	B	0.976000011
SN00399167	C(=C\CCCCCCCCCCCC=O)/CCCC	B	0.962000012
SN00399156	[C@@H]12[C@@H]3N(C[C@H](C2)[C@@H]2N(C1)C(=O)CCC2)CCCC3	B	0.95599997
SN00399121	C(=O)(/C=C/CCCCCCCCC)OCC	B	0.966000021
SN00399073	[C@H]([C@@H](C=S=O)C)(C=S=O)C	B	0.959999979
SN00398988	c12c(oc(c(c1=O)OC)c1ccc(cc1)O)cc(c(c2O)C/C=C(\C)C)O	B	0.958000004
SN00398709	[C@H](CCCCCCCCCCCCCCCC)(CCCCCC)C	B	0.991999984
SN00398517	[C@H](CC/C=C(\C)C)(O)C	B	0.976000011
SN00398293	C(C[C@@H](CCCC)C)C[C@@H](CCCCCCCC)C	B	0.991999984
SN00398252	O([C@@H](CCC)CCC)C(=O)C/C=C\CCCCCCCCCCCCCC	B	0.963999987
SN00398190	[C@@]12(C(=C(CCC2)C)C(=O)[C@@H](CC1)[C@@H](C)C)C	B	0.970000029
SN00398152	C(=O)OCCCCCC/C=C\CCCCCCCC	B	0.972000003
SN00398044	[C@@H]1(OC(=O)C[C@@H](C1)O)C	B	0.95599997
SN00398010	C([C@H](CCCCCCCCCCCCCCCCC)O)[C@@H](CCCCC)O	B	0.952000022
SN00397791	c1(c(c(c(c2c1c(ncc2)C)OC)OC)OC)OC	B	0.970000029
SN00397775	C(CCCCCCCCC=O)CCCC/C=C\CCCC	B	0.962000012
SN00397735	[C@H](CCCCCCCCCCCCCCCCCCCC)(CCCCCCCCC)O	B	0.991999984

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