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
SN00395552	[C@]12([C@H]3[C@](C[C@H]2O1)(C(=C)C[C@@H]([C@@H]1[C@@H]3OC(=O)C1=C)OC(=O)C)O)C	B	0.958000004
SN00395351	C(=C(\CC/C=C(\CC)C)C)/C[C@H]([C@H](CC=O)C)C	B	0.967999995
SN00395293	[C@@]12(C(=C(C(=O)C=C2)C)[C@H]2[C@@H](CC1)[C@@H](C(=O)O2)C)C	B	0.981999993
SN00395238	[C@]1(N(C(=O)NC1=O)C)(c1ccccc1)CC	B	0.976000011
SN00395230	c12c(oc(c(c1=O)O)c1ccccc1)cc(c(c2O)O)O	B	0.967999995
SN00395107	C([C@H](CCCCCCCCCCCCCCCCCCCCCCCCC)O)[C@@H](CCCCC)O	B	0.952000022
SN00395003	c1(c(=O)c2c(oc1)cc(cc2)O)c1cc(c(c(c1)O)OC)O	B	0.963999987
SN00394987	C(/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CO)C)C)C)C)C)C)C/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(/CC/C=C(/C)C)C)C)C)C)C	B	0.953999996
SN00394985	c12c(oc(cc2=O)c2cc(c(cc2)O)O)cc(c(c1OC)OC)O	B	0.970000029
SN00394946	C1(=O)O[C@H](CCC[C@H](C1)O)C	B	0.95599997
SN00394935	c12c(c(c(c(c1OC)OC)OC)OC)CCN([C@H]2C)C	B	0.962000012
SN00394927	OCCC[C@@H](CCCCC)C	B	0.959999979
SN00394919	C([C@H](C)C)CS	B	0.980000019
SN00394910	[C@@H]1(C(=O)CCC1)[C@H](C)C	B	0.977999985
SN00394772	C(=O)(OCC=C)C	B	0.952000022
SN00394620	[C@@]12([C@@]3(C(=CC[C@@H]1[C@@]1([C@@H](CC2)[C@]([C@H](CC1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)(C)C)C)[C@H]1[C@@](CC3)(CC[C@](C1)(C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)C)C	S	0.95599997
SN00394619	c1(c(oc2c(c1=O)c(cc(c2)O)O)c1cc(c(cc1)O)O)O[S@](=O)(=O)[O-]	B	0.963999987
SN00394537	c1(O[B](Cl)Cl)ccccc1	B	0.966000021
SN00394442	N1([C@@H](c2cnccc2)CCC1)C	B	0.967999995
SN00394398	C12=CC(=O)[C@@H]3[C@@]([C@H]1CC[C@@]1([C@@H]2CC[C@@H]1[C@@H]([C@H]1O[C@@H](O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)[C@@H](CC1)C)C)C)(CC[C@H](O[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)C3)C	S	0.991999984
SN00394380	[C@H](CN)(C)C	B	0.973999977
SN00394137	C(C(=O)C)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	B	0.987999976
SN00394031	[C@]12([C@](CC[C@@H](C1)[C@@H](C)C)(CCC2)C)C(=O)C	B	0.952000022
SN00394012	c12c(cc3c(c1C)c(co3)C)C(=O)C=C[C@@H]2C	B	0.952000022
SN00394002	c1(c(c(=O)c2c(o1)cc(cc2O)O)OC(=O)[C@H](C)C)c1cc(c(cc1)O)O	B	0.962000012

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