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
SN00001227	CC(=O)NCCc1ccccc1	B	0.959999979
SN00001194	c1cc(c(c(c1F)C=O)F)Cl	B	0.963999987
SN00001189	c1cc(ccc1C=O)F	B	0.95599997
SN00001188	CC(=O)c1ccc(c(c1)Cl)F	B	0.952000022
SN00001161	C[C@@H]1[C@H]2CC[C@@]3(C=CC(=O)C(=C3[C@@H]2OC1=O)C)C	B	0.981999993
SN00001126	CC(=O)Nc1ccccc1	B	0.962000012
SN00001105	c1cc(cc(c1)Nc1c(cccn1)C(=O)[O-])[C@](F)(F)F	B	0.970000029
SN00001095	c1cnc(nc1)N[S@](=O)(=O)c1ccc(cc1)N	B	0.959999979
SN00001093	c1cc(=O)oc2c1cc1ccoc1c2	B	0.970000029
SN00001092	c1ccc(cc1)c1c(c(=O)c2c(cc(cc2o1)O)O)O	B	0.973999977
SN00001085	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
SN00001083	c1cc(c(cc1[C@@H]1[C@H](Cc2c(cc(cc2O1)O)O)O)O)O	B	0.95599997
SN00001082	c1cc(c(cc1[C@H]1[C@H](Cc2c(cc(cc2O1)O)O)O)O)O	B	0.95599997
SN00001081	C[C@H]1[C@@H]2CC[C@@]3(C=CC(=O)C(=C3[C@@H]2OC1=O)C)C	B	0.981999993
SN00001044	C[NH+](C)CC[C@H](c1ccc(cc1)Cl)c1ccccn1	B	0.970000029
SN00001043	C[NH+](C)CC[C@@H](c1ccc(cc1)Cl)c1ccccn1	B	0.970000029
SN00001007	c1ccc2c(c1)c1ccc(cc1oc2=O)O	B	0.977999985
SN00000990	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
SN00000988	C[C@@H]([C@@H](c1ccccc1)O)[NH2+]C	B	0.977999985
SN00000987	c1ccc2c(c1)ccc(=O)o2	B	0.991999984
SN00000982	CC(=O)Nc1cc2ccccc2oc1=O	B	0.958000004
SN00000977	Cc1c(c(=O)n(n1C)c1ccccc1)N	B	0.953999996
SN00000976	Cc1cc(=O)n(n1C)c1ccccc1	B	0.966000021

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