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
SN00239274	[C@@H]12[C@]3(C[C@@](CC2)(C(=C)C3)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC[C@H]2[C@]1(CCC[C@]2(C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C	S	0.995999992
SN00291652	O([C@@]12C[C@]3(CC[C@H]4[C@@](CCC[C@@]4([C@H]3CC1)C)(C)C(=O)O[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)CC2=C)[C@@H]1[C@H]([C@H](O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O)[C@H]([C@@H](O1)CO)O)O[C@@H]1[C@H]([C@@H]([C@H](CO1)O)O)O	S	0.995999992
SN00296397	[C@@]12([C@]3(C(=CC(=O)[C@@H]1[C@@]1([C@@H](CC2)[C@]([C@H](CC1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)(C)C)C)[C@H]1[C@@](CC3)(CC[C@@](C1)(C(=O)O)C)C)C)C	S	0.995999992
SN00359166	[C@@]12([C@]3(C(=CC(=O)[C@@H]1[C@@]1([C@@H](CC2)[C@]([C@H](CC1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)(C)C)C)[C@H]1[C@@](CC3)(CC[C@](C1)(C(=O)O)C)C)C)C	S	0.995999992
SN00370932	[C@@H]1([C@H](O[C@@H]([C@@H]([C@H]1O)O)C(=O)O)O[C@@H]1[C@]([C@@H]2[C@@]([C@H]3[C@]([C@]4([C@@H](C5=C[C@@](C(=O)O)(CC[C@@]5(CC4)C)C)CC3)C)(CC2)C)(CC1)CO)(C)C)O[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)C(=O)O	S	0.995999992
SN00430847	N.C[C@]1([C@H]2CC[C@@]3([C@@H]([C@@]2(C)CC[C@@H]1O[C@@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H]([C@H](O2)C(=O)O)O)[C@@H](O)[C@@H]([C@H](O1)C(=O)O)O)C(=O)C=C1[C@@]3(C)CC[C@@]2([C@H]1C[C@](CC2)(C(=O)O)C)C)C)C	S	0.995999992
SN00000561	c1ccc(cc1)c1cc(=O)c2c(cccc2o1)O	B	0.994000018
SN00000564	c1ccc2c(c1)c(=O)cc(o2)c1ccc(cc1)O	B	0.994000018
SN00005729	c1cc(c(cc1c1c(c(=O)c2c(cc(cc2o1)O)O)O)O)O	B	0.994000018
SN00006042	c1cc(c(cc1O)O)c1c(c(=O)c2c(cc(cc2o1)O)O)O	B	0.994000018
SN00013745	c1cc(ccc1c1cc(=O)c2c(o1)cc(c(c2O)O)O)O	B	0.994000018
SN00017937	c1cc(c(cc1/C=C/C(=O)c1ccc(cc1O)O)O)O	B	0.994000018
SN00119354	CC[NH+](CC)CC	B	0.994000018
SN00131224	C[C@@](C)(C)N=O	B	0.994000018
SN00131788	c1(=S)[nH][nH]c(=S)[nH][nH]1	B	0.994000018
SN00136233	CCCCCCCCCCCCCCCCCC(=O)OCC	B	0.994000018
SN00136234	CCCCCCCCCCCCCCCC(=O)OCC	B	0.994000018
SN00156137	c1ccc(cc1)COC=O	B	0.994000018
SN00156290	c1ccc(cc1)CCOC=O	B	0.994000018
SN00156347	CCCCCC(=O)OCC	B	0.994000018
SN00156348	CCCCCCCC(=O)OCC	B	0.994000018
SN00156349	CCCCCCCCCCCC(=O)OCC	B	0.994000018
SN00156552	CCCCC[C@@H](CC)O	B	0.994000018
SN00156553	CCCCC[C@H](CC)O	B	0.994000018
SN00156813	c1cc(c(cc1/C=C\C(=O)c1ccc(cc1O)O)O)O	B	0.994000018

Page 9 of 163