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
SN00156421	C[C@@H]1[C@@H]2C[C@@]2(CC1=O)[C@@H](C)C	B	0.95599997
SN00156425	CCCCC[C@@H](C[C@@H](CCC)O)O	B	0.952000022
SN00156431	CCC[C@@H](C)CC	B	0.976000011
SN00156436	Cc1ccccc1[C@@H](C)C	B	0.984000027
SN00156437	C[C@@H]1CC[C@@H](CC1)[C@H](C)C	B	0.963999987
SN00156438	CCCCCc1ccccc1	B	0.972000003
SN00156440	C/C=C(\C)C	B	0.959999979
SN00156444	C[C@H](C)C(=O)C	B	0.95599997
SN00156447	CCCCCCC[C@@H](C)O	B	0.981999993
SN00156473	c1cocc(c1=O)O	B	0.958000004
SN00156477	Cn1c2c(ccc3c2cc2c(c3)OCO2)c2cc(c(cc2c1=O)OC)OC	B	0.953999996
SN00156480	COc1c(c2c(=O)cc(oc2c(c1OC)OC)c1ccc(cc1)O)O	B	0.973999977
SN00156492	Cc1ccccc1C(=O)C	B	0.972000003
SN00156497	c1cc(=O)oc2c1cc(cc2)O	B	0.958000004
SN00156498	CCCCCCc1ccccc1	B	0.970000029
SN00156508	CCCCCCCCCCCOC(=O)C	B	0.995999992
SN00156522	CCCCCCCCCCCCCC(=O)C	B	0.987999976
SN00156540	CCCCC[C@H](C)O	B	0.981999993
SN00156542	C=C1CCCC1	B	0.987999976
SN00156543	COc1cc(cc(c1OC)OC)c1cc(=O)c2c(o1)cc(c(c2O)OC)OC	B	0.963999987
SN00156552	CCCCC[C@@H](CC)O	B	0.994000018
SN00156553	CCCCC[C@H](CC)O	B	0.994000018
SN00156555	CCC[C@H](CC)O	B	0.987999976
SN00156561	C[NH+](C)CCCC[NH+](C)C	B	0.981999993
SN00156569	CC[C@](C)(CC)[C@@H](C)C	B	0.984000027

Page 57 of 163