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
SN00262529	[C@]12([C@H]([C@@H](C[C@@H]3[C@H](C1)C(=C)C(=O)O3)C)CCC2=O)C	B	0.952000022
SN00262579	[C@H](CCOC(=O)CC)(CC/C=C(/C)C)C	B	1
SN00263195	C(C(=O)OCC[N@+](C)(C)C)[C@H](OC(=O)CC)CCCCCCCCCCCCC	B	0.962000012
SN00263251	C12=C(C[C@@H]3N([C@H]1CC3)C)OC[C@@H](C2=O)C	B	0.953999996
SN00263334	[C@H](CCCCCCCCCC)(CCCCCCCCC)C	B	0.991999984
SN00263450	N(CC[C@@H](C)C)C	B	0.981999993
SN00263512	O1C(=O)CC[C@@H]1[C@H](C)C	B	0.972000003
SN00263520	[C@@H](c1ccccc1)([C@@H](NC=O)C)O	B	0.959999979
SN00263547	O(C(=O)C)C/C=C\CCCCCCC	B	0.973999977
SN00263570	[C@@H]([C@@H](C)C)(CC)C	B	0.966000021
SN00263682	C(=C\C[C@H](O)C)\CC	B	0.970000029
SN00263847	c12c(c(c(cc1OC)OC)OC)occc2=O	B	0.976000011
SN00263884	C(=O)(CCCCCCC/C=C\CCCCCCCC)OCCCCCCCCCCCCCCC	B	0.976000011
SN00263940	c12c(=O)c(c(oc1cc(cc2O)O)c1c(cc(cc1)O)O)C/C=C(/C)C	B	0.976000011
SN00263998	C(=C\CCCCCCCC)(\CCCCCCCC)C	B	0.970000029
SN00264084	C1(=O)[C@H](C(=C)C)CC=C(CCC=C(C1)C)C	B	0.958000004
SN00264230	c12c(cc(c(=O)o1)CC[C@](O)(C)C)ccc(c2)O	B	0.962000012
SN00264309	[C@H]12[C@H]([C@H](CC2)C)COC(=O)[C@@H]1C	B	0.967999995
SN00264353	[C@@H](CCCCCCCCCCCCCC)(C)C	B	0.995999992
SN00264478	N1(C(=O)NCC1=O)C	B	0.958000004
SN00264536	N#CCCCCCCC	B	0.970000029
SN00264644	[C@]1(C(=O)C/C=C(\C)C)(C(=C(C(=O)C[C@@H](C)C)C(=O)[C@@H]1C/C=C(\C)C)O)O	B	1
SN00264693	n1(c(=O)c2c(nc1)cccc2)c1ccccc1	B	0.959999979
SN00265115	[C@]12([C@H](CC(=O)C1=C)[C@H](C)C)CCC(=CC2)C	B	0.962000012
SN00265188	c12c(cc(oc1=O)c1ccccc1)cccc2	B	0.977999985

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