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
SN00404209	[C@@]12(C(=CC[C@H]3[C@@]1(CC[C@H]1[C@]3(CC[C@H]([C@]1(C)C)O[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)C(=O)O)O)O)O[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)C(=O)O)CO)C)[C@H]1C[C@@](C(=O)O)(CC[C@]1(CC2)C)C)C	S	0.998000026
SN00428222	OC[C@@H](O)[C@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)CO	S	0.99000001
SN00428353	COc1c(O)cc(CCC(=O)c2c(O)cc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@H]3O)cc2O)cc1	S	0.998000026
SN00428381	OC[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@](O)(CO)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O	S	0.959999979
SN00429337	OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)C=O	S	0.966000021
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
SN00431280	OC[C@@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O	S	1
SN00431309	O.OC[C@H]1[C@H](O)[C@@H](O)[C@H]([C@@H](O1)OC[C@@H]1[C@@H](O)[C@H](O)[C@H]([C@H](O1)OC[C@H]1[C@@H](O)[C@H](O)[C@H]([C@@H](O1)O[C@]1([C@@H](O)[C@H]([C@@H](O1)CO)O)CO)O)O)O	S	0.952000022
SN00500225	C(C(C(C(C(CO)O)O)O)O)O	S	0.973999977

Page 163 of 163