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
SN00002509	CCCC(=O)OCC[N@+](C)(C)C	B	0.987999976
SN00002515	CCC(=O)OC	B	0.977999985
SN00002533	C=C([C@](F)(F)F)Br	B	0.972000003
SN00002551	COc1ccc(cc1)c1cc(=O)c2c(c(c(c(c2o1)OC)OC)OC)O	B	0.973999977
SN00002554	C(CC=O)CC=O	B	0.967999995
SN00002576	Cc1c(c(=O)n(n1C)c1ccccc1)N(C)C[S@](=O)(=O)[O-]	B	0.953999996
SN00002598	Cc1cc(=O)c2c(o1)cc(c(c2O)C/C=C(\C)C)O	B	0.973999977
SN00002642	C=CCc1c(c(c(c(c1F)F)F)F)F	B	0.973999977
SN00002661	c1c(c(c(c(c1F)F)Br)F)F	B	0.953999996
SN00002699	C[NH+](C)CCCOc1c2ccccc2n(n1)Cc1ccccc1	B	0.958000004
SN00002701	COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]1C[C@@H]2CC[NH+]1C[C@H]2C=C)O	B	0.967999995
SN00002765	C/C(=C\COc1cc2c(ccc(=O)o2)cc1OC)C	B	0.959999979
SN00002771	C[C@@H]1C[C@@H](C(=O)[C@@H](C1)[C@@H](C[C@H]1CC(=O)NC(=O)C1)O)C	B	0.958000004
SN00002793	COc1cc(cc(c1OC)OC)c1c(c(=O)c2ccc(cc2o1)O)O	B	0.963999987
SN00002829	CCCCO[C@@H](C)OC[C@@](F)(F)F	B	0.980000019
SN00002971	CCCCOc1ccc(c(c1)F)C(=O)C	B	0.967999995
SN00003057	C=C([C@]([C@](F)(F)F)([C@](F)(F)F)F)Br	B	0.970000029
SN00003058	CCCCOCC[C@]([C@](F)(F)F)(Cl)Cl	B	0.967999995
SN00003059	CCCCOCC[C@@]([C@@](F)(F)Cl)(F)Cl	B	0.970000029
SN00003061	C[C@H](CC/C=C(\C)C)CCOC(=O)/C=C(\C)C	B	0.953999996
SN00003074	COc1c2c(ccc(=O)o2)cc2c1occ2	B	0.952000022
SN00003083	c1ccc(c(c1)c1c(c(=O)c2cc(ccc2o1)O)O)O	B	0.95599997
SN00003114	c1cc(c(c(c1F)F)Br)F	B	0.953999996
SN00003144	COc1cc2c(c(=O)cc(o2)c2cc(c(c(c2)OC)OC)OC)c(c1)OC	B	0.981999993
SN00003145	COc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2OC)OC	B	0.987999976

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