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
SN00012229	CC[C@H]1CN(CC[C@H]1CC(=O)N(C)CCO)[S@@](=O)(=O)c1ccccc1	B	0.953999996
SN00013540	Cc1cc(n(n1)C(=O)[C@]([C@]([C@](F)(F)F)(F)F)(F)F)C	B	0.963999987
SN00013624	COc1c(cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O)O	B	0.972000003
SN00013627	COc1cc(c2c(=O)cc(oc2c1)c1ccc(cc1)O)O	B	0.966000021
SN00013639	COc1ccc(cc1)c1cc(=O)c2c(cc(cc2o1)OC)O	B	0.981999993
SN00013640	COc1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2O)OC)O	B	0.976000011
SN00013641	COc1ccc(cc1)c1cc(=O)c2ccc(cc2o1)O	B	0.970000029
SN00013649	C[C@@H](CC/C=C(\C)C)CCOC(=O)/C=C(\C)C	B	0.953999996
SN00013688	Cc1cc(c(c(=O)o1)C)O	B	0.972000003
SN00013693	Cc1cc(=O)c2c(cc(cc2o1)O)O	B	0.976000011
SN00013695	CC1=C2[C@@H]3[C@@H](CC[C@]2(CCC1)C)C(=C)C(=O)O3	B	0.95599997
SN00013712	c1cc(c(cc1c1c(c(=O)c2c(o1)cc(c(c2O)O)O)O)O)O	B	0.991999984
SN00013745	c1cc(ccc1c1cc(=O)c2c(o1)cc(c(c2O)O)O)O	B	0.994000018
SN00013784	CC[C@H]([C@@H](CC)C(=O)[O-])C(=O)[O-]	B	0.95599997
SN00013786	c1ccc(cc1)c1cc(=O)c2c(cc(c(c2o1)O)O)O	B	0.966000021
SN00013787	c1ccc(cc1)c1cc(=O)c2ccc(cc2o1)O	B	0.99000001
SN00013805	COc1c(cc2c(c1O)c(=O)cc(o2)c1ccc(c(c1)O)O)O	B	0.970000029
SN00013886	Cc1c(=O)c2ccc(cc2oc1c1ccccc1)O	B	0.970000029
SN00013903	c1cc(c(cc1c1cc(=O)c2ccc(cc2o1)O)O)O	B	0.984000027
SN00013909	c1cc(ccc1c1c(c(=O)c2ccc(cc2o1)O)O)O	B	0.991999984
SN00013910	c1cc(ccc1c1coc2c(c1=O)ccc(c2O)O)O	B	0.980000019
SN00013911	c1ccc(c(c1)c1c(c(=O)c2c(cc(cc2o1)O)O)O)O	B	0.99000001
SN00013912	c1ccc(c(c1)c1cc(=O)c2c(cc(cc2o1)O)O)O	B	0.987999976
SN00013916	c1ccc(cc1)c1c(c(=O)c2ccc(cc2o1)O)O	B	0.977999985
SN00014135	COc1ccc(cc1)c1coc2cc(c(c(c2c1=O)O)OC)O	B	0.963999987

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