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
SN00258882	C(=O)(OCCCCCCCC/C=C\CCCCCCCC(=O)OCC)CCCCCCCCCCCCCCCCC	B	0.963999987
SN00258922	[C@@H](CCCCCCCCCO)(CCCCCC)C	B	0.962000012
SN00258980	C1C[C@@]2([C@@H]3[C@@](C1)([C@@H]1CC[C@H]4C(=C)[C@@H]([C@]1(CC3)C4)O)[C@H]1N(C2)CCO1)C	B	0.953999996
SN00259049	c12c(nc(c(n1)OC)OC)cccn2	B	0.953999996
SN00259078	[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
SN00259092	[C@H](I)(Br)Cl	B	0.952000022
SN00259215	[C@H]1([C@@H]([C@@H](C)C)CC[C@H](C1)C)O	B	0.966000021
SN00259301	c1(c(=O)n(c2c(c1O)cccc2)C)C/C=C(\C)C	B	0.959999979
SN00259420	C(=O)(CCC(=O)OCC)OCC	B	0.977999985
SN00259505	c12c(c(=O)cc(o2)c2ccc(cc2)O)ccc(c1C/C=C(\C)C)O	B	0.962000012
SN00259585	c1(c(c2ccc(cc2)O)oc2c(c1=O)c(cc(c2)O)O)[S@@](=O)(=O)[O-]	B	0.95599997
SN00259738	c1(C(=O)O)ccccc1	B	0.981999993
SN00259767	[C@@H]1([C@H]([C@@H](C)C)CCC(=C1)C)OCC	B	0.962000012
SN00259810	O(C(=O)C)CCCCCCCCCCCCCCCCCCCCCC	B	0.995999992
SN00259836	C(=O)(NC)Cc1ccccc1	B	0.963999987
SN00259972	C(=O)([C@@H](CC)C)OCCCCCCCC	B	0.959999979
SN00259977	[C@H](CCCCCCCCC)(CCCCCCC)C	B	0.991999984
SN00260142	C(CCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC	B	1
SN00260190	c12c(c(=O)c3c(o2)cc(cc3)O)c(cc(c1C/C=C(\C)C)O)O	B	0.973999977
SN00260195	[I-]	B	0.991999984
SN00260196	[C@H]12[C@@](C=CC(=O)C(=CCCC(=C1)C(=O)O2)C)(C)C	B	0.95599997
SN00260450	[C@H](OC)(OC)CCCC	B	0.970000029
SN00260454	[C@@H](CCCCC[C@@H](CCCCCC)C)(CCCCCCCCCCCCCC)C	B	0.991999984
SN00260553	[C@H](CCCC)(CC)O	B	0.994000018
SN00260624	N(C=O)(C)C	B	0.959999979

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