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
SN00311180	C(=O)(/C=C/CCC)C	B	0.980000019
SN00311204	[C@H](CC)(O)C	B	0.976000011
SN00311216	c12c(oc(=O)c1C)cocc2	B	0.95599997
SN00311239	[C@H](CCCCCCCCCCCCC)(CC)C	B	0.995999992
SN00311284	c1ccccc1	B	0.970000029
SN00311324	c1(cn(c(=O)cc1)C)C(=O)OC	B	0.953999996
SN00311416	C(=O)(CCCCCCCCCCC/C=C\CCCC)OCC	B	0.972000003
SN00311510	[C@@H](CCCC)(CCCCCCCCCCCC)C	B	0.991999984
SN00311585	O=C1CCCCCCCCCCCCCCCCCC1	B	0.967999995
SN00311731	c12c(=O)c3c(oc1cc(c(c2O)C/C=C(/C)C)O)c(ccc3O)O	B	0.962000012
SN00311914	[C@@H](C(=O)[O-])(CC[S@@H+](C)C)OC	B	0.959999979
SN00312013	c1(c2c(=O)c3c(oc2)cc(c(c3)OC)OC)c(cc2c(c1)OCO2)OC	B	0.958000004
SN00312123	C(=O)(OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C	B	0.995999992
SN00312270	C(=C\CCCC)\C(=O)C	B	0.976000011
SN00312280	C(=C(\CC/C=C(\C)C)C)/CC/C(=C\CO)C	B	0.966000021
SN00312285	[C@@H](CCCCC(=O)C)(CCCCCCCCCCCCCCCCCCCCCCCCC)O	B	0.977999985
SN00312341	C(CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC	B	1
SN00312406	[C@@H]12N(CCC1=C)CCC2	B	0.967999995
SN00312489	C(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC	B	1
SN00312513	C(=C\CCCCCCCCCC=O)\CC	B	0.952000022
SN00312583	O[C@H](CCCCC[C@@H](CC)C)C	B	0.981999993
SN00312592	C(=O)(Cl)CCCCCCCCC	B	0.959999979
SN00312626	c12c(C(=O)C(=C(C1=O)OC)C)ccnc2C	B	0.962000012
SN00312779	C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CO)C)C)C)C)C)C)(\CC/C=C(\CC/C=C(/CC/C=C(\CC/C=C(\CC/C=C(/CC/C=C(/CC/C=C(/C)C)C)C)C)C)C)C)C	B	0.953999996
SN00312819	n1(c2c(c(c1)C[C@H]1C(=O)N[C@H](C(=O)N1)C[C@H](CO)C)cccc2)[C@](C=C)(C)C	B	0.95599997

Page 113 of 163