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
SN00246200	c1(c(=O)c2c(oc1c1cc(c(cc1)O)O)c(ccc2O)O)O	B	0.959999979
SN00246228	[C@@H](CCCCCCCCCCCCCCCCCCCCCCCCCO)(CC)C	B	0.963999987
SN00246458	[C@@H](CCCCCCCCCCCCC[C@@H](CCC)C)(CCCCCCCCCCCC)C	B	0.977999985
SN00246478	[C@H]1(OC(=O)C[C@H](OC(=O)C1)C)C	B	0.981999993
SN00246494	C(=C\CCCCCCCCCCCCCCC)/CCCCCCCC	B	0.970000029
SN00246574	[S@](=O)(=O)(CC[N@+](C)(C)C)[O-]	B	0.967999995
SN00246817	[C@H](CCCCCCCCCCC)(CCCCCCCCCCC)O	B	0.991999984
SN00246864	c12c(c(c(c(c1O)C)OC)C)oc(cc2=O)c1ccc(cc1)O	B	0.967999995
SN00246892	C1(=O)[C@@](CCC[C@@H]1C)(C)C	B	0.953999996
SN00247020	[C@@H](CCC[C@@H](CCCCCCCCC)C)(CCCCCCCCCCCCCCCC)C	B	0.991999984
SN00247027	[C@@H]1([C@H]([C@H](C)C)CC[C@H](C1)C)OC(=O)C	B	0.973999977
SN00247050	C(=O)(O[C@@H](CC)C)CCCCC/C=C\CCCCCC	B	0.967999995
SN00247053	O([C@H](CCCC)C)C(=O)C	B	0.984000027
SN00247122	C(CCCCCCCCCC)/C=C\CC/C=C\CCCC	B	0.970000029
SN00247139	c12c(c(c(c(c2)OC)OC)O)c(=O)cc(o1)c1cc(c(c(c1)O)OC)OC	B	0.962000012
SN00247392	[C@@H](CCCCC)(CCCC)C	B	0.991999984
SN00247555	[C@@H]1(N2C[C@@]([C@H](C1)CC2)(C=C)O)[C@@H](c1c2c(ccc(c2)OC)ncc1)O	B	0.963999987
SN00247683	C(=O)(/C=C\CCCCCC)OCC	B	0.963999987
SN00247868	c1(C(=O)OC/C=C(/CC/C=C(\C)C)C)ccccc1	B	0.963999987
SN00248084	[C@H]([C@@H](C)C)(O)C	B	0.953999996
SN00248119	[C@@H]1([C@H](CC[C@H]1C)C)C	B	0.952000022
SN00248219	ClC	B	0.995999992
SN00248386	[C@@]12([C@@H](O1)[C@@H]1[C@@H]([C@@H](CC(=CCC2)C)O)C(=C)C(=O)O1)C	B	0.953999996
SN00248388	[C@]([C@@H]1NC(=O)OC1)(C)(C)C	B	0.95599997
SN00248492	[C@@]123[C@H]([C@](O[C@H]3O)(C)C)C(=O)O[C@H]2CN2[C@H]1CCC2	B	0.958000004

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