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
SN00253229	C(=O)(OCCCCCCCC/C=C\CCCCCCCC(=O)OCC)CCCCCCCCCCCCCCC	B	0.963999987
SN00253252	c12c(c(c(c(c2)O)C)O)c(=O)cc(o1)c1ccccc1	B	0.963999987
SN00253649	[C@H](CCCCCCCCCCCCCCCCCCCCCC)(C)C	B	0.995999992
SN00253823	C(=O)(CCCCCCCCCCCCCCCCC)C	B	0.987999976
SN00254095	C(=C\[C@H](CC)C)(/C(=O)CC)C	B	0.966000021
SN00254164	C(=O)(OCCCC/C=C\CCCCCC)C	B	0.973999977
SN00254331	[C@H](CCCCCC)(CC)O	B	0.994000018
SN00254336	C(=C\CCCCCCCCCCCC)\CCCCCCCCCCCCCCC	B	0.970000029
SN00254375	c1(C(=O)OCc2ccccc2)cnccc1	B	0.952000022
SN00254392	[C@@H]12N([C@@H](C[C@H]1O)C[C@H](C2)OC(=O)c1cc(c(c(c1)OC)OC)OC)C	B	0.959999979
SN00254400	C1(=C(C(=C([C@](C1=O)(C/C=C(/C)C)O)O)C/C=C(/C)C)O)C(=O)C[C@H](C)C	B	0.994000018
SN00254445	C(=C\CCCCCC)/CCCCCCC	B	0.967999995
SN00254481	C(=O)(Cl)CCCCCCCCCCCCC	B	0.959999979
SN00254921	[C@@H](CCCCCCCO)(CCCCCCCC)C	B	0.962000012
SN00254949	C(=O)(Cl)CCCCCCCCCCCCCCC	B	0.959999979
SN00254998	c1(c(c2c(oc1=O)cccc2[C@H](OC(=O)CC)C)O)C/C=C(/C)C	B	0.952000022
SN00255068	C(=O)(O[C@@H](CC)C)CCCCCCCCC	B	0.986000001
SN00255211	[C@@H](CCCCCCCCCCCCCCCCCCCCCCCCCCO)(CC)C	B	0.963999987
SN00255338	[C@H](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCC)O	B	0.991999984
SN00255461	C(=C\CCCCCCCCCCC=O)\CCC	B	0.953999996
SN00255619	[C@H](CCCCCCCCCCCCC)(O)C	B	0.981999993
SN00255834	N12[C@H]([C@H]3CN4[C@@H]([C@@H](C1)C3)CCCC4)CC(=O)CC2	B	0.95599997
SN00255860	c1(c(=O)c2c(oc1)cc(cc2)O)c1cc(c(cc1)O)C=O	B	0.962000012
SN00255977	O(CC)CCCCCCCC	B	0.998000026
SN00256036	N#CCCCCCCCCCCCCC	B	0.970000029

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