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
SN00225850	c12c(c(c(c(c2)O)OC)OC)c(=O)cc(o1)c1ccccc1	B	0.967999995
SN00225856	C(=C(\C)C)\C=O	B	0.958000004
SN00225861	c12c(oc3c(c1=O)cc1c(c3)OCO1)c(c(cc2OC)OC)OC	B	0.962000012
SN00226015	[C@@H](CCCCCCCC(=O)OCCCCCC)(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)O	B	0.981999993
SN00226055	[C@@H](CCCCCCCCCCC[C@@H](CCCC)C)(CCCCCCCCCCCCCC)C	B	0.991999984
SN00226386	[C@H]1(C(=O)[C@@H](C[C@@](C1)(O)C)C)[C@@H](C[C@H]1CC(=O)NC(=O)C1)O	B	0.966000021
SN00226411	O(C(=O)C)CC/C=C/CC	B	0.981999993
SN00226468	O=CCC[C@@H](CCC[C@@H](CC)C)C	B	0.977999985
SN00226501	c12c(oc(cc2=O)c2cc(c(cc2)O)O)cc(c(c1O)O[S@](=O)(=O)[O-])O	B	0.963999987
SN00226579	c1(ccccc1)Br	B	0.958000004
SN00226668	c1(c(=O)c2c(oc1c1ccccc1)cc(cc2O)O)C	B	0.962000012
SN00226702	C(=O)(N)OCCCc1ccccc1	B	0.995999992
SN00226797	c12c(c(=O)nc(n1C)N)n(cn2)C	B	0.953999996
SN00226901	C(CCCCCCCCCCCCC)CCCCCCCCCCCC=O	B	0.970000029
SN00227231	C([C@H](OCC)OCC)CN	B	0.973999977
SN00227334	C12=C(CC[C@@H]1[C@](CC[C@@H]1[C@@H]2OC(=O)[C@H]1C)(O)C)C	B	0.966000021
SN00227384	C(=C\CCCCCCC=O)\CCCCCCCC	B	0.962000012
SN00227402	C(=O)(OCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CC/C=C\CCCC	B	0.970000029
SN00227407	[C@H](CCC[C@@H](C)C)(O)C	B	0.972000003
SN00227598	[C@H]12[C@](C=CC(=O)C(=CCCC(=C1)C(=O)O2)C)(C)C	B	0.95599997
SN00227610	[C@H]1([C@@H]2N(CCC2)C)SSC[C@H]1O	B	0.95599997
SN00227648	[C@@H](C[C@@H](CCC)O)(CCCCCCCCCCCCCCC)O	B	0.952000022
SN00227665	C(=O)(O[C@@H](CCCCCCCCCCC)C)CCCCCCCCCCCCCCCCC	B	0.981999993
SN00227676	N(CC)CC[C@@H](C)C	B	0.967999995
SN00227693	[C@H](CCC[C@H](CC)C)(CC/C=C(/C)C)C	B	0.991999984

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