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
SN00157850	c1c(cc2c(c1O)c(=O)cc(o2)c1cc(c(cc1O)O)O)O	B	0.962000012
SN00157855	c1cc(ccc1c1c(c(=O)c2c(cc(c(c2o1)O)O)O)O)O	B	0.973999977
SN00157856	c1cc(ccc1c1cc(=O)c2c(cc(c(c2o1)O)O)O)O	B	0.981999993
SN00157859	c1cc2c(=O)c3c(cc(cc3oc2c(c1)O)O)O	B	0.966000021
SN00157863	C(=O)([O-])[O-]	B	0.959999979
SN00157871	CCCCCCCCCCCCCCCCCCCCCCCCCCO	B	0.958000004
SN00157872	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO	B	0.958000004
SN00157900	CCCCCCCCCCCCCCCCO	B	0.958000004
SN00157906	CCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC	B	0.986000001
SN00157911	CCCCCCCCCCCCCCCC=O	B	0.970000029
SN00157917	CCCCCCCCCCCCCCC=O	B	0.970000029
SN00157937	CSSC	B	0.970000029
SN00157941	CCCCCCCCCCCCCCCCCCCCCCCCCCCCO	B	0.958000004
SN00158024	C[C@@H]1C(=O)O[C@@H]2[C@]1([C@@]13C(=O)O[C@H]4[C@]1([C@@H]2O)[C@@]1([C@@H](C4)[C@](C)(C)C)[C@H](C(=O)O[C@H]1O3)O)O	B	0.970000029
SN00158071	C/C(=C\CC/C(=C\C=O)C)C	B	0.981999993
SN00158079	C/C(=C\CC/C(=C\CO)C)C	B	0.952000022
SN00158094	C/C(=C\Cc1cc(ccc1O)c1c(c(=O)c2c(cc(cc2o1)O)O)O)C	B	0.958000004
SN00158411	C[C@H](C)CC(=O)c1c(c(c(c(c1O)C/C=C(\C)C)O)C/C=C(\C)C)O	B	0.952000022
SN00158448	Cc1cn2c(nc1=O)CCC2	B	0.95599997
SN00158476	c1cc2c3ccc(cc3oc(=O)c2cc1O)O	B	0.952000022
SN00158478	COc1cc(ccc1O)c1cc(=O)c2c(o1)cc(cc2OC)O	B	0.952000022
SN00158558	CCCCC/C=C\C(=O)C	B	0.967999995
SN00158582	C/C(=C\Cc1cc(cc(c1O)O)c1c(c(=O)c2c(cc(cc2o1)O)O)O)C	B	0.959999979
SN00158614	COc1cc(cc(c1OC)OC)c1cc(=O)c2c(o1)cc(c(c2O)OC)O	B	0.95599997
SN00158615	COc1cc(cc(c1OC)OC)c1cc(=O)c2c(cc(c(c2o1)OC)OC)OC	B	0.970000029

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