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
SN00227791	[C@@]123[C@](O2)(CC[C@H]1[C@H](C[C@H]1[C@H](C3)C(=C)C(=O)O1)C)C	B	0.962000012
SN00227882	[C@@H](OC(=O)CCCC)(CCCCC)C	B	0.976000011
SN00228150	C(C(=O)OCC[C@H](C)C)[C@H](C)C	B	0.967999995
SN00228244	O=C	B	0.994000018
SN00228335	c12[C@H]3[C@H]4C[C@H](n1c1c(c2CCN3C[C@@H](C4)CC)cccc1)O	B	0.952000022
SN00228519	C(=C\CCCCCCC)/CCCCCCCC	B	0.970000029
SN00228532	N#CCCCCCC	B	0.970000029
SN00228537	c12c(n(c3c(c1=O)cccc3)C)cc(c(c2OC)OC)OC	B	0.953999996
SN00228546	c1(CCN(C)C)ccccc1	B	0.984000027
SN00228688	c1(CCCCCCCCCCCCCCCC[C@H](CC)C)ccccc1	B	0.967999995
SN00228769	OC	B	0.994000018
SN00228770	[C@@H]1(N[C@@H](CC1)CCCC)CCCCCCC	B	0.973999977
SN00228777	n1(cccc1)Cc1ccccc1	B	0.991999984
SN00228919	C(=C(\CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/C)C)C)C)C)C)/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO)C)C)C)C	B	0.95599997
SN00228928	C(C(=O)OCC[C@@H](CC/C=C(/C)C)C)[C@H](C)C	B	0.976000011
SN00229179	c12C(=O)c3c(C(=O)c1cc(c(c2OC)OC)OC)cc(c(c3OC)OC)C	B	0.953999996
SN00229266	C(=O)(OCC)CCCCCCCCCC=O	B	0.95599997
SN00229272	c1(cn(nc1)C)c1nc2c(cc1)cccc2	B	0.953999996
SN00229328	n1c(C(=O)C)cccc1	B	0.970000029
SN00229624	[C@@H]12N(C[C@@H]3C[C@H]1CN1[C@@H]3C[C@H](CC1)O)C(=O)CCC2	B	0.967999995
SN00229674	[C@H](CCCCCCCCCC)(CCCCCC)C	B	0.991999984
SN00229789	[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC	B	0.95599997
SN00229820	C(=O)(/C=C/[C@@H](C)C)OCC	B	0.972000003
SN00230098	C(=C(\C)C)\C(=O)OC	B	0.973999977
SN00230170	SC	B	0.980000019

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