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
SN00365784	C(=O)([C@@H](C)C)OC[C@@H](C)C	B	0.967999995
SN00365953	O(C(=O)C)CCCCCCCC/C=C\CCCC	B	0.976000011
SN00366272	[C@H](CCCCCC)(CC)C	B	0.995999992
SN00366342	C(=O)(OCCCCCCCCC/C=C/CCCC)C	B	0.976000011
SN00366393	c12c(cc(c(c1O)OC)OC)oc(cc2=O)C	B	0.952000022
SN00366413	C(/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CO)C)C)C)C)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/C)C)C)C)C	B	0.958000004
SN00366522	C(=O)(OCCCCCC/C=C\CCC)C	B	0.967999995
SN00366573	C(=O)OCCCCCCCC/C=C\CC	B	0.958000004
SN00366991	[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC	B	0.95599997
SN00367037	[C@H](C(=O)OCC)(C(=O)OCC)OCC	B	0.967999995
SN00367181	C(=O)=O	B	0.986000001
SN00367568	c12c(oc(cc2=O)c2cc(c(c(c2)O)O)O)cc(c(c1O)O)O	B	0.973999977
SN00367584	c1(c(c2ccc(cc2)O)oc2c(c1=O)c(c(c(c2)O)O)O)O[S@](=O)(=O)[O-]	B	0.967999995
SN00367733	C(=C\[C@@H](C=C)C)\C[C@@](O)(C)C	B	0.966000021
SN00367961	C(=O)(OCC)CCCCCCCCCCCCCCCCCCCCC(=O)OCC	B	0.987999976
SN00368008	C(=O)([C@@H](CCCCCCC[C@@H](CCCCCCCCCCCCCCCCCC)C)C)C	B	0.953999996
SN00368108	[C@H](CCCCCCCCC[C@@H](C)C)(CCCCCCCCCCCCCC(=O)C)O	B	0.958000004
SN00368113	[C@H]([C@H](CCC)C)(CC)C	B	0.967999995
SN00368396	c12c3c(ccc1nccc2)cccc3	B	0.953999996
SN00368479	N1=C(SCC1)C	B	0.959999979
SN00368489	c12c(c(c(c(c2)O)O)O)occ(c1=O)c1ccc(cc1)O	B	0.972000003
SN00368857	[C@@H](C[C@@H](CCCCC)O)(CCCCCCCCCCCCCCCCCCCCCCCCCCC)O	B	0.952000022
SN00368915	C(=O)(OCCCCC/C=C/CCCCCCC)C	B	0.976000011
SN00368946	N(C=O)C	B	0.977999985
SN00369050	[C@@H](CCC[C@@H](CCCCCCCC)C)(CCCCCCCCCCCCCC)C	B	0.991999984

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