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
SN00393685	[C@H]1(OC(=O)C1)O	B	0.980000019
SN00393450	C(=C(\CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/C)C)C)C)C)C)\CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CO)C)C)C)C	B	0.95599997
SN00393327	C1(=O)NCCCC1	B	0.962000012
SN00393310	[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)O)O)O[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)CO	S	0.987999976
SN00393061	C(=C\CCO[C@H](OCC)C)\CC	B	0.977999985
SN00393000	[C@H]12[C@H]3C[C@@H](CN1CC[C@H](C2)O)[C@@H]1N(C3)C=CC(=O)C1	B	0.953999996
SN00392930	C(=C\CCCCCC)\CCCCCCC	B	0.967999995
SN00392927	c12c(oc(c(c1=O)OC)c1c(cc(c(c1)OC)OC)OC)cc(c(c2OC)OC)OC	B	0.95599997
SN00392909	[C@@H]1([C@H](c2c3c(ccc(c3)O)ncc2)O)N2C[C@@H]([C@H](C1)CC2)C=C	B	0.95599997
SN00392737	N#CCOCC	B	0.952000022
SN00392732	c12c(c(=O)c3c(n1C)cccc3)c(cc(c2OC)OC)OC	B	0.95599997
SN00392618	C(=O)(c1ccccc1)NCCC	B	0.959999979
SN00392579	[C@]12([C@@H](O1)[C@@H]1[C@@H]([C@@H](CC(=CCC2)C)O)C(=C)C(=O)O1)C	B	0.953999996
SN00392565	C(=O)(CC[C@@H](CCCCC)O)OCCCCCCCCCCC	B	0.976000011
SN00392556	[C@H](CCCCCCCCCCCCCCCCCCCCCCCCCCC)(CC)C	B	0.995999992
SN00392499	O(C(=O)CC)[C@@H](c1ccccc1)C	B	0.998000026
SN00392472	C1(=C(C(=O)C(=C(C1=O)Br)Br)Br)Br	B	0.981999993
SN00392225	c12c(oc3c(c1=O)cccc3)cc1c(c2)OCO1	B	0.967999995
SN00392094	C(=O)(OCCCCCCC/C=C/CCC)C	B	0.967999995
SN00392039	c1(OC(=O)C)ccccc1	B	0.952000022
SN00391789	C(=C\CCCCCCCC=O)/CCCC	B	0.959999979
SN00391784	[C@@]123[C@H]4[C@]5([C@H](C(=C)[C@H](C5)CC4)O)CC[C@@H]1[C@@](CN1[C@@H]2OCC1)(CCC3)C	B	0.953999996
SN00391754	c12c(oc3c(c1=O)c(c(c(c3)O)C/C=C\CC)O)oc1c2ccc(c1)O	B	0.952000022
SN00391679	[C@H](CC(=O)OCC[C@@H](C)C)(CC/C=C(/C)C)C	B	0.966000021
SN00391596	c1([C@H](C)C)ccc(cc1)O	B	0.958000004

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