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
SN00000905	Cc1c2cc(ccc2oc(=O)c1c1ccc(cc1)OC)OC	B	0.953999996
SN00000906	Cc1c2ccc(cc2oc(=O)c1c1ccc(cc1)OC)OC	B	0.972000003
SN00000907	Cc1c2ccc(cc2oc(=O)c1c1ccccc1)O	B	0.966000021
SN00000909	c1ccc(cc1)c1cc2ccc(cc2oc1=O)O	B	0.963999987
SN00000921	c1ccc(cc1)c1cc(=O)c2cc(ccc2o1)Br	B	0.95599997
SN00000931	c1ccc2c(c1)c(=O)cc(o2)c1ccc(cc1)Cl	B	0.966000021
SN00000949	c1cc(cc2c1ccc(=O)o2)O	B	0.991999984
SN00000954	COc1cc2c(c(=O)cc(o2)c2ccccc2)c(c1OC)OC	B	0.980000019
SN00000976	Cc1cc(=O)n(n1C)c1ccccc1	B	0.966000021
SN00000977	Cc1c(c(=O)n(n1C)c1ccccc1)N	B	0.953999996
SN00000982	CC(=O)Nc1cc2ccccc2oc1=O	B	0.958000004
SN00000987	c1ccc2c(c1)ccc(=O)o2	B	0.991999984
SN00000988	C[C@@H]([C@@H](c1ccccc1)O)[NH2+]C	B	0.977999985
SN00000989	C[C@H]([C@@H](c1ccccc1)O)[NH2+]C	B	0.977999985
SN00000990	C[C@H]([C@H](c1ccccc1)O)[NH2+]C	B	0.977999985
SN00001007	c1ccc2c(c1)c1ccc(cc1oc2=O)O	B	0.977999985
SN00001043	C[NH+](C)CC[C@@H](c1ccc(cc1)Cl)c1ccccn1	B	0.970000029
SN00001044	C[NH+](C)CC[C@H](c1ccc(cc1)Cl)c1ccccn1	B	0.970000029
SN00001081	C[C@H]1[C@@H]2CC[C@@]3(C=CC(=O)C(=C3[C@@H]2OC1=O)C)C	B	0.981999993
SN00001082	c1cc(c(cc1[C@H]1[C@H](Cc2c(cc(cc2O1)O)O)O)O)O	B	0.95599997
SN00001083	c1cc(c(cc1[C@@H]1[C@H](Cc2c(cc(cc2O1)O)O)O)O)O	B	0.95599997
SN00001084	c1cc(c(cc1[C@H]1[C@@H](Cc2c(cc(cc2O1)O)O)O)O)O	B	0.95599997
SN00001085	c1cc(c(cc1[C@@H]1[C@@H](Cc2c(cc(cc2O1)O)O)O)O)O	B	0.95599997
SN00001092	c1ccc(cc1)c1c(c(=O)c2c(cc(cc2o1)O)O)O	B	0.973999977
SN00001093	c1cc(=O)oc2c1cc1ccoc1c2	B	0.970000029

Page 5 of 163