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
SN00360311	[C@@]12(C(=CC[C@H](C2)C)C[C@@H]2[C@H](C1)C(=C)C(=O)O2)C	B	0.967999995
SN00360337	C(=O)(OCC/C=C/C=C/CC)C	B	0.952000022
SN00360501	OCCCCCCCCC[C@@H](CC)C	B	0.963999987
SN00360505	c12c(ccc(=O)n1C)cccc2	B	0.967999995
SN00360526	[C@@]123[C@H]([C@@]45[C@H]6N(C[C@]([C@H]4CC3)(CCC5)C)CCO6)CC[C@@H](C(=C)[C@@H]1O)C2	B	0.953999996
SN00360590	c1(cc(C(=O)OC)cnc1)[C@H](OC)C	B	0.958000004
SN00360800	c12c(=O)c(c(oc1cc(c(c2O)C/C=C(/C)C)O)c1ccccc1)O	B	0.95599997
SN00360860	[C@H]([C@H](CC)C)(CC)C	B	0.972000003
SN00360915	c12c(cc(c(c1)OC)OC/C=C(\C)C)ccc(=O)o2	B	0.959999979
SN00361029	C(CCCCCCCCCCCC)CCCCCCCCCCO	B	0.958000004
SN00361275	[C@H]12[C@H]3N(C[C@@H](C2)[C@H]2N(C1)C(=O)CCC2)CCCC3	B	0.95599997
SN00361445	[C@@H](C[C@@H](CCCCCCCCCCC)C)(CCCCCCCCCCCCCC)C	B	0.986000001
SN00361660	C(=O)(OCCCCCC/C=C\CC/C=C/CCCC)C	B	0.976000011
SN00361698	[C@]12([C@]3([C@H]([C@]4([C@H](CC3)C(=O)O[C@@H](C4)c3cocc3)C)C[C@@H]([C@@H]1O)OC2=O)C)O	B	0.958000004
SN00361705	c1(c(c(c(c(c1OCC)Br)Br)OCC)Br)Br	B	0.973999977
SN00361902	[C@H](CCCCCCCCCCCCCCCCCCCCCCCC)(CCCC)C	B	0.991999984
SN00361930	C(=O)(NCC[C@H](C)C)C	B	0.959999979
SN00362145	O[C@H](CCC)CCCC	B	0.991999984
SN00362158	[C@H]1(N[C@@H](CCC1)C)C[C@H](O)C	B	0.977999985
SN00362360	c12c(c(c(cc2O)O)C/C=C(/C)C)oc(cc1=O)c1c(cc(cc1)O)O	B	0.970000029
SN00362488	c12c(=O)c3c(oc2cc(c(c1O)O)O)cccc3	B	0.972000003
SN00362494	[C@H](/C=C/C=C(\C)C)(CC)C	B	0.958000004
SN00362583	c1(cc(=O)c2c(o1)cc(c(c2)OC)OC)c1cc(c(c(c1)OC)OC)OC	B	0.981999993
SN00362728	C([C@H](CCCCCCCCCCCCCCCC)C)[C@@H](CCCCCCCCCCCC)C	B	0.986000001
SN00362777	c12c(=O)c3c(oc1cc(cc2OC)OC)cc(c(c3)OC)OC	B	0.962000012

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