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
SN00006939	C[C@@]12CC[C@H]3C(=O)O[C@@H](C[C@]3([C@@H]1[C@H]1C=C[C@@]2(C(=O)O1)O)C)c1ccoc1	B	0.963999987
SN00006953	CC(=C)[C@@H]1[C@@H]2[C@@H]3[C@@]4([C@]([C@H]1C(=O)O2)(C[C@@H]1[C@]4(O1)C(=O)O3)O)C	B	0.984000027
SN00006975	COc1cc2c(c(=O)cc(o2)c2ccc(c(c2)O)O)c(c1OC)O	B	0.952000022
SN00006979	c1cc2c(cc1O)oc(c(c2=O)O)c1cc(c(c(c1)O)O)O	B	0.987999976
SN00007000	Cn1c2ccccc2c(=O)c2c1c(c(c(c2OC)OC)OC)OC	B	0.967999995
SN00007239	c1ccc(c(c1)/C=C/C(=O)c1ccccc1O)O	B	0.953999996
SN00009593	c1ccc(c(c1)C(=O)/C=C/c1cccc(c1)O)O	B	0.966000021
SN00009594	c1ccc(c(c1)C(=O)/C=C/c1ccc(cc1)O)O	B	0.958000004
SN00009644	c1cc(c(cc1/C=C/C(=O)c1c(cc(cc1O)O)O)O)O	B	0.95599997
SN00009648	c1ccc(c(c1)/C=C/C(=O)c1ccc(cc1O)O)O	B	0.973999977
SN00009651	c1cc(ccc1/C=C/C(=O)c1cc(ccc1O)O)O	B	0.977999985
SN00011049	CCCCOCC[C@]([C@@](F)(F)Cl)(F)Cl	B	0.970000029
SN00011054	CCCCO[C@H](C)OC[C@@](F)(F)F	B	0.980000019
SN00011115	Cc1c(=O)c2c(cc(cc2oc1c1ccc(c(c1)O)O)O)O	B	0.986000001
SN00011186	CC1=CCC[C@@]2([C@H](O2)[C@@H]2[C@@H](CC1)C(=C)C(=O)O2)C	B	0.973999977
SN00011204	CCCCCC(=O)OC[C@@H](COC(=O)CCCCC)OC(=O)CCCCC	B	0.986000001
SN00011252	C[C@@]12CC[C@H]3[C@]([C@@]41[C@@H](O4)C(=O)O[C@@H]2c1ccoc1)(C(=O)C[C@@H]1[C@@]23COC(=O)C[C@@H]2O[C@@]1(C)C)C	B	0.976000011
SN00011253	C[C@@]12CC[C@H]3[C@]([C@@]41[C@@H](O4)C(=O)O[C@@H]2c1ccoc1)(C(=O)C[C@H]1[C@@]23COC(=O)C[C@@H]2O[C@]1(C)C)C	B	0.976000011
SN00011254	C[C@@]12CC[C@H]3[C@@]([C@@]41[C@@H](O4)C(=O)O[C@@H]2c1ccoc1)(C(=O)C[C@@H]1[C@@]23COC(=O)C[C@@H]2O[C@@]1(C)C)C	B	0.976000011
SN00011255	C[C@@]12CC[C@H]3[C@@]([C@@]41[C@@H](O4)C(=O)O[C@@H]2c1ccoc1)(C(=O)C[C@H]1[C@@]23COC(=O)C[C@@H]2O[C@]1(C)C)C	B	0.976000011
SN00011483	C(=O)[C@](F)(F)Cl	B	0.977999985
SN00011497	CC1=CCC[C@@]2([C@@H](O2)[C@@H]2[C@@H](CC1)C(=C)C(=O)O2)C	B	0.973999977
SN00011498	CC1=CCC[C@]2([C@@H](O2)[C@@H]2[C@@H](CC1)C(=C)C(=O)O2)C	B	0.973999977
SN00011541	CC(=O)NOC(=O)C	B	0.953999996
SN00011558	C/C(=C\Cc1c(cc2c(c1O)c(=O)c(co2)c1ccc(cc1)O)O)C	B	0.970000029

Page 12 of 163