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
SN00314743	O=CCC[C@@H](CCC[C@H](CC)C)C	B	0.977999985
SN00314789	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
SN00314835	c12c(oc(c(c1=O)O)c1cc(c(cc1)O)O)c(c(c(c2O)O)O)O	B	0.953999996
SN00314837	[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
SN00314937	[C@@]12([C@](CC[C@@H](C1)[C@@H](C)C)(CCC2)C)C(=O)C	B	0.952000022
SN00314964	c1(c(C(=O)O)ccc(c1C)C)C	B	0.963999987
SN00315088	[C@@H](C(=O)CC)(CCC)C	B	0.958000004
SN00315138	[C@@H](OCCCCCC)(OCCCCCC)C	B	0.986000001
SN00315293	[C@@H](C[C@@H](C)C)(CC)C	B	0.953999996
SN00315395	C([C@H](C)C)CN	B	0.981999993
SN00315403	[C@@H]([C@@H](CC=O)C)(C/C=C(/CC/C=C(\CC)C)C)C	B	0.967999995
SN00315545	[C@H]([C@H](Cl)Cl)(Cl)Cl	B	0.962000012
SN00315719	[N@@+](CCc1ccccc1)(C)(C)C	B	0.984000027
SN00315751	c12c(c(cc(c2)OC)OC)c(=O)cc(o1)c1ccc(cc1)O	B	0.966000021
SN00315844	[C@@H](CCCCC(=O)C)(CCCCCCCCCCCC)O	B	0.977999985
SN00315882	O(C(=O)C)CCCCCCCCCCCCCC	B	0.995999992
SN00315900	C(/C(=C\CC/C(=C\CC/C(=C\CO)C)C)C)C/C=C(/CC/C=C(/CC/C=C(\C)C)C)C	B	0.962000012
SN00315922	N(=C(\CCCCCCCCCCCCCCCC)CCCCCCCCCCCC)\O	B	0.953999996
SN00316006	[C@H]12[C@@H]3C[C@H](CN1CCC[C@H]2O)[C@H]1N(C3)CCCC1	B	0.967999995
SN00316035	[C@@H]1([C@@H]([C@@H](C)C)CCC(=C1)C)OC/C=C(\C)C	B	0.95599997
SN00316169	C12=C(CC[C@@H]1C(=COC2=O)C)C	B	0.962000012
SN00316278	C1(=C(C(=O)CC1)O)C[C@H](CC)C	B	0.972000003
SN00316324	SCCCOCC	B	0.95599997
SN00316329	OC[C@H](CCCCCCCCCCCCC)C	B	0.959999979
SN00316349	N#CCCCCCCCCCCCCCCCCC	B	0.970000029

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