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
SN00248522	[C@H](CC/C=C(/C)C)(CCOC=O)C	B	0.994000018
SN00248527	[C@H]12c3c(cc(c(c3)OC)OC)CCN1C[C@@H]([C@H](C2)C[C@@H]1c2c(cc(c(c2)OC)OC)CCN1)CC	B	0.981999993
SN00248572	C(=O)([C@H](CCCCCCC[C@H](CCCCCCCCCCCCCCCCCC)C)C)C	B	0.953999996
SN00248580	c12c(c(=O)n(c3c1cccc3)C)cc1c(c2)OCO1	B	0.973999977
SN00249066	[C@H]12[C@@H]3N(C[C@H](C1)[C@H]1N(C2)CCCC1)C=CC(=O)C3	B	0.952000022
SN00249155	C(=O)(OCC)CCCCCCC(=O)OCC	B	0.987999976
SN00249166	C(=O)(O[C@H](C)C)CCCCC/C=C\CCCCCC	B	0.970000029
SN00249181	C(/C(=C/CC/C(=C/C=O)C)C)C/C=C(/CC/C=C(/C)C)C	B	0.966000021
SN00249229	c1(ccccc1)S	B	0.977999985
SN00249330	[C@]12([C@H](O1)CC[C@@H](C(=O)C[C@H](C(=O)C2)[C@@H](C)C)C)C	B	0.963999987
SN00249493	c12c(C(=O)N(C1=O)C)cc(c(c2)OC)OC	B	0.976000011
SN00249653	c12c(c(=O)c3c(n1C)cccc3)C[C@H](O2)[C@](O)(C)C	B	0.962000012
SN00249704	C(=O)([C@@H](CC)C)OCCCCCCCCCC	B	0.959999979
SN00249745	C(=O)(OCCCCCCCC[C@@H](CCCC)O)CCCCCCCCCCCCCCCCCCCCC	B	0.981999993
SN00249755	C(=O)(OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	B	0.995999992
SN00249821	[C@H](CCCCCCCCCCCCCCCCCCCC)(CC)C	B	0.995999992
SN00249968	[C@@H]1([C@@H](CCC1)C)C	B	0.95599997
SN00250031	C(=O)(OCC)CCCCCCCCCCCC	B	0.994000018
SN00250033	C(=C\CCCCCCC=O)/CCCCCCCC	B	0.962000012
SN00250092	[C@@H](CCCCCCCCCCC[C@@H](CCCC)C)(CCCCCCCCCCCCCCCCCCCCCCCC)C	B	0.991999984
SN00250390	c12c(c(c(cc1O)O)C/C=C(\C)C)oc(cc2=O)C	B	0.963999987
SN00250457	C1(=O)[C@H]([C@@H](C)C)CC[C@H](C1=O)C	B	0.972000003
SN00250482	[C@@]12([C@H]([C@H]3[C@@H](C[C@H]([C@@H]1C[C@@H](C2=O)O)C)OC(=O)C3=C)O)C	B	0.95599997
SN00250534	[C@]([C@H]1OC(=O)C(=C1)C)(C=C)(C)C	B	0.952000022
SN00250536	N1CCCCC1	B	0.958000004

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