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
SN00299520	C1(=O)[C@H]([C@@H](CC[C@H]1[C@H](C)C)C=C)C(=C)C	B	0.952000022
SN00299684	C(=C\CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CO)C)C)C)C)C)C)(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/C)C)C)C)C)C)C)C	B	0.953999996
SN00299704	N1([C@H]2C[C@H]([C@@H]1C[C@@H](C2)OC(=O)c1ccccc1)O)C	B	0.953999996
SN00299732	c12c(c(c(cc2OC(=O)C)OC)OC)oc(cc1=O)C	B	0.962000012
SN00299756	[N@@+]([C@@H]([C@H]([O-])O)C)(C)(C)C	B	0.953999996
SN00299773	N(C[C@@H](C)C)CCC	B	0.959999979
SN00299847	C(=O)(OCC)CCCCCCCCCCCCCCCCCCCCCCC	B	0.994000018
SN00300011	C12=C(C(=O)C[C@H]1[C@H](C[C@H]1[C@H]([C@H]2O)C(=C)C(=O)O1)C)C	B	0.95599997
SN00300121	C(=C\CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO)C)C)C)C)C)(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/C)C)C)C)C)C)C)C	B	0.953999996
SN00300194	c12c(n(cc1CC[C@H](CO)C)OC)cccc2	B	0.953999996
SN00300219	c12c(c(c(cc1OC)OC)C/C=C(\C)C)oc(cc2=O)C	B	0.95599997
SN00300412	c12c(c(ccc1[C@@H](C)C)C)CC[C@H](C2)C	B	0.958000004
SN00300446	C(=C(\CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/C)C)C)C)C)C)C)/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CO)C)C)C)C)C	B	0.953999996
SN00300648	[C@H](CCCCCCCCCCCCCCCCCCCCCCCCCC)(CCO)C	B	0.976000011
SN00300958	c12c(c(=O)c3c(o2)cc(cc3)O)c(c(c(c1C/C=C(\C)C)O)C/C=C(/C)C)O	B	0.973999977
SN00300962	c1(CN(CCCCCCCCCCCCCCC)C)ccccc1	B	0.962000012
SN00301049	C(=O)(CC[C@@H](OC)OC)OCC	B	0.984000027
SN00301081	[C@H](C(=O)OCC)(CCCCCC)O	B	0.981999993
SN00301083	C1(=CC=C(CC(=O)C[C@@H](CCC=C(CC1)C)C)C)[C@@H](C)C	B	0.952000022
SN00301127	[C@H]1(N2C(=O)C(=C[C@H]2O)C)NC(=O)[C@@H](C1)C	B	0.952000022
SN00301179	C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC	B	1
SN00301288	c12c(oc3c(c1=O)cc(cc3)O)c(ccc2O)O	B	0.952000022
SN00301437	C(=O)([C@H](CCCCCCC[C@@H](CCCCCCCCCCCCCCCCCC)C)C)C	B	0.953999996
SN00301501	c12c(c(c(c(c1OC)OC)OC)OC)c(=O)cc(o2)c1cc(c(cc1)O)OC	B	0.95599997
SN00301505	C(=O)(OC/C=C/CCC)CCCCCCC	B	0.987999976

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