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
SN00400944	C(=C\CCCCCCCCCCCCCC)\CCCCCCCCCCCCC	B	0.970000029
SN00400968	[C@]123[C@@]4(C2)[C@H]([C@@]2([C@@]([C@@H]([C@H]([C@H]5OC(=O)C(=CC5)C)C)CC2)(CC4)C)C)CC[C@@H]1[C@@]([C@@H](O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O[C@H]1O[C@@H]([C@@H]([C@H]([C@H]1O)O)O)C(=O)O)CC3)(C(=O)O)C	S	0.959999979
SN00401214	[C@](CC/C=C(/C)C)(CBr)(C=C)Cl	B	0.953999996
SN00401220	NCCCCCCC	B	0.962000012
SN00401331	[C@]1(C(=C(C(=O)C1=C)C)C)(C)C	B	0.967999995
SN00401379	[C@H](CCCCCCCCCCCCC)(CCCCCCCCCCCCC)O	B	0.991999984
SN00401493	[C@]12([C@@H]3C(=C[C@@](CC3)(C=C)C)CC[C@H]1[C@@H](C(=O)CC2)C)C	B	0.958000004
SN00401746	[C@@H](CCC)(C=C)O	B	0.959999979
SN00401934	[C@H](CCCCCCCCCCCCCCCCCC)(O)C	B	0.981999993
SN00402045	c12C(=O)O[C@@H](Cc1c(cc(c2O)C)C)C	B	0.963999987
SN00402189	[C@H](CCCCCCCCCCCCCCCC[C@H](CC)O)(CCCCCCCCCCC)O	B	0.95599997
SN00402296	[C@@H]1([C@@H](O[C@@H]([C@H]([C@H]1O)O)C(=O)O)O[C@H]1[C@@]([C@H]2[C@@]([C@@H]3[C@@]([C@]4([C@@H](C5=C[C@](C(=O)O)(CC[C@]5(CC4)C)C)CC3)C)(CC2)C)(CC1)C=O)(C)C)O[C@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)C(=O)O	S	0.980000019
SN00402301	[C@@H](CCCCCCCCCO)(CCCCCCC)C	B	0.962000012
SN00402367	[C@]12([C@@]([C@H](CC2)[C@@H](CC[C@@H](O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[C@@](O)(C)C)C)(C[C@H]([C@@]2([C@H]1CC=C1[C@H]2CC[C@@H]([C@@]1(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)O)C)C	S	0.994000018
SN00402373	[C@@H]1([C@H](c2c3c(ccc(c3)OC)ncc2)O)N2C[C@@H]([C@H](C1)CC2)CC	B	0.99000001
SN00402380	C(=O)(OCCCC/C=C/CCCCCCCC)C	B	0.976000011
SN00402781	[C@@H]12[C@@H]([C@@H]3[C@@H](C(=C)C[C@@H]2OC(=O)C1=C)CCC3=C)OC(=O)C	B	0.952000022
SN00402902	OCCCCCCCCC[C@H](CC)C	B	0.963999987
SN00403046	O(C(=O)c1ccccc1)C(=O)[C@H](C)C	B	0.958000004
SN00403187	c1(cnccc1)CC	B	0.952000022
SN00403313	c1([C@H](CCC[C@H](C)C)C)c(cccc1)C	B	0.970000029
SN00403393	[C@H](CCCCCCCCCCCCCCCCCCCCCCCCCC[C@@H](C)C)(C)C	B	0.994000018
SN00403395	c12c(cc(cc1)OC(=O)C)oc(=O)cc2	B	0.952000022
SN00403529	c1(C(=O)C)cc(ncc1)C	B	0.987999976
SN00403546	c12[C@H]3N([C@@H](Cc1occ(c2=O)C)CC3)C	B	0.959999979

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