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
SN00428447	C[C@H](C)[C@H]1CC[C@@H](C)CC1=O	B	0.991999984
SN00428390	Cl.Cl.CC[C@H]1[C@H](C[C@@H]2c3cc(c(cc3CCN2)OC)OC)C[C@@H]2N(C1)CCc1c2cc(c(c1)OC)OC	B	0.981999993
SN00428388	Cl.CN[C@H]([C@H](c1ccccc1)O)C	B	0.987999976
SN00428381	OC[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@](O)(CO)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O	S	0.959999979
SN00428379	O[S@@](=O)(=O)O.COc1ccc2c(c1)c([C@H]([C@H]1N3C[C@H]([C@@H](C1)CC3)C=C)O)ccn2	B	0.958000004
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
SN00428337	[C@H]12C[C@@H]3C4=CCO[C@@H]5CC(=O)N6[C@@H]([C@@H]35)[C@]1(CCN2C4)c1c6cc(OC)c(OC)c1	B	0.966000021
SN00428295	[C@H]12CC(=O)CC[C@]1(C)[C@H]1CC(=O)[C@@]3(C)[C@@H](CC[C@@H]3[C@H]1C(=O)C2)[C@@H](C)CCC(=O)O	B	0.952000022
SN00428279	CC(=C)[C@@H]1[C@@H]2OC(=O)[C@H]1[C@]1(O)C[C@H]3O[C@@]43C(=O)O[C@@H]2[C@@]14C	B	0.984000027
SN00428264	[NH3+]CCC[NH3+].[O-][S@@](=O)(=O)[O-]	B	0.953999996
SN00428222	OC[C@@H](O)[C@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)CO	S	0.99000001
SN00428136	CCCCCCCCCCCCCCCC[N@@+](C)(C)C	B	0.998000026
SN00427857	SCCS	B	0.967999995
SN00427848	CCCC[P@H](CCCC)CCCC	B	0.977999985
SN00427841	O=C(OCc1ccccc1)ON1C(=O)CCC1=O	B	0.962000012
SN00427833	O=C1CCC(=O)N1OC(=O)ON1C(=O)CCC1=O	B	0.963999987
SN00427821	ON1C(=O)CCC1=O	B	0.972000003
SN00427770	CC1=CCC[C@]2(C)O[C@H]2[C@@H]2OC(=O)C(=C)[C@H]2CC1	B	0.973999977
SN00427201	O=C(Cc1ccccc1)SSC(=O)Cc1ccccc1	B	0.953999996
SN00404845	c12c(c(c(c(c2)O)C/C=C(/C)C)O)c(=O)cc(o1)c1ccc(cc1)O	B	0.986000001
SN00404797	C(=O)(/C=C/C[C@H](C)C)CC	B	0.966000021
SN00404788	C12=C([C@@H](CC[C@@]1(CC[C@H](C2=O)[C@@H](C)C)C)O)C	B	0.973999977
SN00404742	c12c(oc(cc1=O)c1ccc(cc1)OC)cc(c(c2)OC)OC	B	0.976000011
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
SN00404195	C(=O)(N)CCCC[C@@H](C)C	B	0.953999996

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