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
SN00292105	C(=C\CC[C@H](CCOC(=O)C)C)(/CC/C=C(/CC/C=C(/C)C)C)C	B	0.976000011
SN00292360	[C@@]1(C(=O)[C@H](CC(=O)C1)C)(C)C	B	0.962000012
SN00292510	C(=C\CC[C@@H](C=C)C)(/CC/C=C(\C)C)C	B	0.987999976
SN00292524	[C@H](OC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC	B	0.95599997
SN00292525	[C@]12([C@H]([C@@H](C[C@H]3[C@@H](C1)C(=C)C(=O)O3)C)CCOC2=O)C	B	0.952000022
SN00292554	C[C@H]([C@@H](C)OC(=O)CCCCCCC/C=C/CCCCCC)OC(=O)CCCCCCCCC/C=C/CCCCCC	B	0.953999996
SN00292585	c1(O[B](Oc2ccccc2)Cl)ccccc1	B	0.970000029
SN00292597	C(=O)(CCCCCCCCC)OCC	B	0.994000018
SN00292673	C(=O)(O[C@@H](CCOC(=O)C)CCCCCCCCCCCCCCCCCCCCCCC[C@@H](C)C)C	B	0.972000003
SN00292703	[S@](=O)(=O)(OCC/C=C/[C@@H](CC/C=C(\C)C)C)O	B	0.977999985
SN00292719	c12c(=O)c(c(oc1cc(c(c2O)C/C=C(/C)C)O)c1cc(c(cc1)O)C)O	B	0.980000019
SN00292749	C1(=C([C@H](C(=O)[C@](C1=O)(C/C=C(/C)C)O)C/C=C(\C)C)O)C(=O)[C@@H](CC)C	B	0.976000011
SN00292786	C(=O)(OCC)CCCCCCCCCCC(=O)OCC	B	0.987999976
SN00292814	c12c(c(c(c(c1C)OC)C)O)c(=O)cc(o2)c1ccccc1	B	0.962000012
SN00292838	c1(c(cc(c(c1)OC)OC)CC(=O)C)OC	B	0.952000022
SN00292947	C(=C\CCCCCCCC)\CCCCCCCC=O	B	0.962000012
SN00292994	[C@]12([C@H](O1)[C@@H]1[C@@H]([C@H](CC(=CCC2)C)OC(=O)C)C(=C)C(=O)O1)C	B	0.953999996
SN00293041	c1(=O)c2c(ccn1C)cc1c(c2)OCO1	B	0.952000022
SN00293046	N1(C[C@H](CC[C@@H]1CCC)O)C	B	0.95599997
SN00293062	[C@@](/C=C/[C@H](O)C)(O)(C)C	B	0.963999987
SN00293179	[C@@H](OC)(OC)CC	B	0.973999977
SN00293275	[C@H](CC/C=C(/CC/C=C(/C)C)C)(CCOC(=O)C)C	B	0.981999993
SN00293429	C(=C\CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO)C)C)C)C)C)(/CC/C=C(/C)C)C	B	0.962000012
SN00293556	C(=O)(N(O)C)Cc1ccccc1	B	0.976000011
SN00293600	C(=O)(OCC)CCCCCCCCCCCCCCCCCCCCCCCCC	B	0.994000018

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